1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide

C225H300F5N25O29 — CID 157147984

IUPAC1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide
SMILESCC(C)CC(=O)Cc1cc(C#N)ccn1.CC(C)CC(=O)Cc1cc(F)ccn1.CC(C)CC(=O)Cc1ccc(CNC=O)cn1.CC(C)CC(=O)Cc1ccc(F)cn1.CC(C)CC(=O)Cc1ccc(F)nc1.CC(C)CC(=O)Cc1cccc(NC=O)n1.CC(C)CC(=O)Cc1ccncc1F.CC(C)CC(=O)Cc1ncccc1F.CNC(=O)c1cccc(CC(=O)CC(C)C)n1.COc1cc(CC(=O)CC(C)C)ccn1.COc1ccc(CC(=O)CC(C)C)cn1.COc1ccc(CC(=O)CC(C)C)nc1.COc1cccc(CC(=O)CC(C)C)n1.COc1cccnc1CC(=O)CC(C)C.COc1ccnc(CC(=O)CC(C)C)c1.COc1cnccc1CC(=O)CC(C)C.Cc1ncccc1CC(=O)CC(C)C.[C-]#[N+]c1ccc(CC(=O)CC(C)C)nc1.[C-]#[N+]c1cccc(CC(=O)CC(C)C)n1
InChIInChI=1S/2C13H18N2O2.C12H16N2O2.3C12H14N2O.7C12H17NO2.C12H17NO.5C11H14FNO/c1-9(2)7-11(16)8-10-5-4-6-12(15-10)13(17)14-3;1-10(2)5-13(17)6-12-4-3-11(8-15-12)7-14-9-16;1-9(2)6-11(16)7-10-4-3-5-12(14-10)13-8-15;1-9(2)6-12(15)7-10-4-5-11(13-3)8-14-10;1-9(2)7-11(15)8-10-5-4-6-12(13-3)14-10;1-9(2)5-12(15)7-11-6-10(8-13)3-4-14-11;1-9(2)6-11(14)7-10-8-12(15-3)4-5-13-10;1-9(2)6-11(14)7-10-4-5-13-8-12(10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-9(2)6-11(14)7-10-4-5-13-12(8-10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)13-8-10;1-9(2)7-10(14)8-11-12(15-3)5-4-6-13-11;1-9(2)7-11(14)8-10-5-4-6-12(13-10)15-3;1-9(2)7-12(14)8-11-5-4-6-13-10(11)3;1-8(2)5-11(14)6-10-4-3-9(12)7-13-10;1-8(2)5-11(14)7-10-6-9(12)3-4-13-10;1-8(2)5-10(14)6-9-3-4-13-7-11(9)12;1-8(2)5-10(14)6-9-3-4-11(12)13-7-9;1-8(2)6-9(14)7-11-10(12)4-3-5-13-11/h4-6,9H,7-8H2,1-3H3,(H,14,17);3-4,8-10H,5-7H2,1-2H3,(H,14,16);3-5,8-9H,6-7H2,1-2H3,(H,13,14,15);4-5,8-9H,6-7H2,1-2H3;4-6,9H,7-8H2,1-2H3;3-4,6,9H,5,7H2,1-2H3;5*4-5,8-9H,6-7H2,1-3H3;2*4-6,9H,7-8H2,1-3H3;4-6,9H,7-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3
InChIKeyAKXQGPSYSVZLBA-UHFFFAOYSA-N
MW3914.01 g/mol
LogP42.76
Rot. Bonds89

About 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide

1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide (PubChem CID 157147984) has the molecular formula C225H300F5N25O29 and a molecular weight of 3914.01 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide
PubChem CID157147984
Molecular FormulaC225H300F5N25O29
Molecular Weight3914.01 g/mol
Exact Mass3911.27
IUPAC Name1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide
SMILESCC(C)CC(=O)Cc1cc(C#N)ccn1.CC(C)CC(=O)Cc1cc(F)ccn1.CC(C)CC(=O)Cc1ccc(CNC=O)cn1.CC(C)CC(=O)Cc1ccc(F)cn1.CC(C)CC(=O)Cc1ccc(F)nc1.CC(C)CC(=O)Cc1cccc(NC=O)n1.CC(C)CC(=O)Cc1ccncc1F.CC(C)CC(=O)Cc1ncccc1F.CNC(=O)c1cccc(CC(=O)CC(C)C)n1.COc1cc(CC(=O)CC(C)C)ccn1.COc1ccc(CC(=O)CC(C)C)cn1.COc1ccc(CC(=O)CC(C)C)nc1.COc1cccc(CC(=O)CC(C)C)n1.COc1cccnc1CC(=O)CC(C)C.COc1ccnc(CC(=O)CC(C)C)c1.COc1cnccc1CC(=O)CC(C)C.Cc1ncccc1CC(=O)CC(C)C.[C-]#[N+]c1ccc(CC(=O)CC(C)C)nc1.[C-]#[N+]c1cccc(CC(=O)CC(C)C)n1
InChIInChI=1S/2C13H18N2O2.C12H16N2O2.3C12H14N2O.7C12H17NO2.C12H17NO.5C11H14FNO/c1-9(2)7-11(16)8-10-5-4-6-12(15-10)13(17)14-3;1-10(2)5-13(17)6-12-4-3-11(8-15-12)7-14-9-16;1-9(2)6-11(16)7-10-4-3-5-12(14-10)13-8-15;1-9(2)6-12(15)7-10-4-5-11(13-3)8-14-10;1-9(2)7-11(15)8-10-5-4-6-12(13-3)14-10;1-9(2)5-12(15)7-11-6-10(8-13)3-4-14-11;1-9(2)6-11(14)7-10-8-12(15-3)4-5-13-10;1-9(2)6-11(14)7-10-4-5-13-8-12(10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-9(2)6-11(14)7-10-4-5-13-12(8-10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)13-8-10;1-9(2)7-10(14)8-11-12(15-3)5-4-6-13-11;1-9(2)7-11(14)8-10-5-4-6-12(13-10)15-3;1-9(2)7-12(14)8-11-5-4-6-13-10(11)3;1-8(2)5-11(14)6-10-4-3-9(12)7-13-10;1-8(2)5-11(14)7-10-6-9(12)3-4-13-10;1-8(2)5-10(14)6-9-3-4-13-7-11(9)12;1-8(2)5-10(14)6-9-3-4-11(12)13-7-9;1-8(2)6-9(14)7-11-10(12)4-3-5-13-11/h4-6,9H,7-8H2,1-3H3,(H,14,17);3-4,8-10H,5-7H2,1-2H3,(H,14,16);3-5,8-9H,6-7H2,1-2H3,(H,13,14,15);4-5,8-9H,6-7H2,1-2H3;4-6,9H,7-8H2,1-2H3;3-4,6,9H,5,7H2,1-2H3;5*4-5,8-9H,6-7H2,1-3H3;2*4-6,9H,7-8H2,1-3H3;4-6,9H,7-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3
InChIKeyAKXQGPSYSVZLBA-UHFFFAOYSA-N
XLogP42.76
TPSA753.66 Ų
H-Bond Donors3
H-Bond Acceptors49
Rotatable Bonds89
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003914.01
LogP ≤ 542.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide (CID 157147984) is 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide is CC(C)CC(=O)Cc1cc(C#N)ccn1.CC(C)CC(=O)Cc1cc(F)ccn1.CC(C)CC(=O)Cc1ccc(CNC=O)cn1.CC(C)CC(=O)Cc1ccc(F)cn1.CC(C)CC(=O)Cc1ccc(F)nc1.CC(C)CC(=O)Cc1cccc(NC=O)n1.CC(C)CC(=O)Cc1ccncc1F.CC(C)CC(=O)Cc1ncccc1F.CNC(=O)c1cccc(CC(=O)CC(C)C)n1.COc1cc(CC(=O)CC(C)C)ccn1.COc1ccc(CC(=O)CC(C)C)cn1.COc1ccc(CC(=O)CC(C)C)nc1.COc1cccc(CC(=O)CC(C)C)n1.COc1cccnc1CC(=O)CC(C)C.COc1ccnc(CC(=O)CC(C)C)c1.COc1cnccc1CC(=O)CC(C)C.Cc1ncccc1CC(=O)CC(C)C.[C-]#[N+]c1ccc(CC(=O)CC(C)C)nc1.[C-]#[N+]c1cccc(CC(=O)CC(C)C)n1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide?
The InChIKey is AKXQGPSYSVZLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2O2.C12H16N2O2.3C12H14N2O.7C12H17NO2.C12H17NO.5C11H14FNO/c1-9(2)7-11(16)8-10-5-4-6-12(15-10)13(17)14-3;1-10(2)5-13(17)6-12-4-3-11(8-15-12)7-14-9-16;1-9(2)6-11(16)7-10-4-3-5-12(14-10)13-8-15;1-9(2)6-12(15)7-10-4-5-11(13-3)8-14-10;1-9(2)7-11(15)8-10-5-4-6-12(13-3)14-10;1-9(2)5-12(15)7-11-6-10(8-13)3-4-14-11;1-9(2)6-11(14)7-10-8-12(15-3)4-5-13-10;1-9(2)6-11(14)7-10-4-5-13-8-12(10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-9(2)6-11(14)7-10-4-5-13-12(8-10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)13-8-10;1-9(2)7-10(14)8-11-12(15-3)5-4-6-13-11;1-9(2)7-11(14)8-10-5-4-6-12(13-10)15-3;1-9(2)7-12(14)8-11-5-4-6-13-10(11)3;1-8(2)5-11(14)6-10-4-3-9(12)7-13-10;1-8(2)5-11(14)7-10-6-9(12)3-4-13-10;1-8(2)5-10(14)6-9-3-4-13-7-11(9)12;1-8(2)5-10(14)6-9-3-4-11(12)13-7-9;1-8(2)6-9(14)7-11-10(12)4-3-5-13-11/h4-6,9H,7-8H2,1-3H3,(H,14,17);3-4,8-10H,5-7H2,1-2H3,(H,14,16);3-5,8-9H,6-7H2,1-2H3,(H,13,14,15);4-5,8-9H,6-7H2,1-2H3;4-6,9H,7-8H2,1-2H3;3-4,6,9H,5,7H2,1-2H3;5*4-5,8-9H,6-7H2,1-3H3;2*4-6,9H,7-8H2,1-3H3;4-6,9H,7-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide?
1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide has a molecular weight of 3914.01 g/mol, XLogP of 42.76, 89 rotatable bonds, 3 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(3-fluoro-4-pyridinyl)-4-methylpentan-2-one;1-(4-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(5-fluoro-2-pyridinyl)-4-methylpentan-2-one;1-(6-fluoro-3-pyridinyl)-4-methylpentan-2-one;1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;4-methyl-1-(2-methyl-3-pyridinyl)pentan-2-one;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide is sourced from PubChem (CID 157147984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).