N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide

C155H215N43O29 — CID 159862922

IUPACN-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide
SMILESCC(C)CC(=O)Nc1cc(C(N)=O)ccn1.CC(C)CC(=O)Nc1ccc(COC=O)cn1.CC(C)CC(=O)Nc1cccc(COC=O)n1.CC(C)CC(=O)Nc1cccnn1.CC(C)CC(=O)Nc1ccnnc1.CC(C)CC(=O)Nc1cnc(=O)[nH]c1.CC(C)CC(=O)Nc1cncnc1.COC(=O)c1cccnc1NC(=O)CC(C)C.COC(=O)c1ccnc(NC(=O)CC(C)C)c1.COc1ccc(NC(=O)CC(C)C)nn1.COc1cnc(NC(=O)CC(C)C)cn1.COc1cncc(NC(=O)CC(C)C)n1.COc1cncnc1NC(=O)CC(C)C.[C-]#[N+]c1ncc(NC(=O)CC(C)C)cn1.[C-]#[N+]c1nccc(NC(=O)CC(C)C)n1
InChIInChI=1S/4C12H16N2O3.C11H15N3O2.2C10H12N4O.4C10H15N3O2.C9H13N3O2.3C9H13N3O/c1-8(2)6-11(15)14-10-7-9(4-5-13-10)12(16)17-3;1-8(2)7-10(15)14-11-9(12(16)17-3)5-4-6-13-11;1-9(2)5-12(16)14-11-4-3-10(6-13-11)7-17-8-15;1-9(2)6-12(16)14-11-5-3-4-10(13-11)7-17-8-15;1-7(2)5-10(15)14-9-6-8(11(12)16)3-4-13-9;1-7(2)4-9(15)14-8-5-12-10(11-3)13-6-8;1-7(2)6-9(15)13-8-4-5-12-10(11-3)14-8;1-7(2)4-9(14)13-10-8(15-3)5-11-6-12-10;1-7(2)4-9(14)13-8-5-12-10(15-3)6-11-8;1-7(2)4-9(14)12-8-5-11-6-10(13-8)15-3;1-7(2)6-9(14)11-8-4-5-10(15-3)13-12-8;1-6(2)3-8(13)12-7-4-10-9(14)11-5-7;1-7(2)3-9(13)12-8-4-10-6-11-5-8;1-7(2)5-9(13)12-8-3-4-10-11-6-8;1-7(2)6-9(13)11-8-4-3-5-10-12-8/h4-5,7-8H,6H2,1-3H3,(H,13,14,15);4-6,8H,7H2,1-3H3,(H,13,14,15);3-4,6,8-9H,5,7H2,1-2H3,(H,13,14,16);3-5,8-9H,6-7H2,1-2H3,(H,13,14,16);3-4,6-7H,5H2,1-2H3,(H2,12,16)(H,13,14,15);5-7H,4H2,1-2H3,(H,14,15);4-5,7H,6H2,1-2H3,(H,12,13,14,15);5-7H,4H2,1-3H3,(H,11,12,13,14);5-7H,4H2,1-3H3,(H,11,13,14);5-7H,4H2,1-3H3,(H,12,13,14);4-5,7H,6H2,1-3H3,(H,11,12,14);4-6H,3H2,1-2H3,(H,12,13)(H,10,11,14);4-7H,3H2,1-2H3,(H,12,13);3-4,6-7H,5H2,1-2H3,(H,10,12,13);3-5,7H,6H2,1-2H3,(H,11,12,13)
InChIKeyNRJKXOAAWROKSG-UHFFFAOYSA-N
MW3144.70 g/mol
LogP23.39
Rot. Bonds58

About N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide

N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide (PubChem CID 159862922) has the molecular formula C155H215N43O29 and a molecular weight of 3144.70 g/mol. Its IUPAC name is N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide.

Molecular Properties

Compound NameN-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide
PubChem CID159862922
Molecular FormulaC155H215N43O29
Molecular Weight3144.70 g/mol
Exact Mass3142.67
IUPAC NameN-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide
SMILESCC(C)CC(=O)Nc1cc(C(N)=O)ccn1.CC(C)CC(=O)Nc1ccc(COC=O)cn1.CC(C)CC(=O)Nc1cccc(COC=O)n1.CC(C)CC(=O)Nc1cccnn1.CC(C)CC(=O)Nc1ccnnc1.CC(C)CC(=O)Nc1cnc(=O)[nH]c1.CC(C)CC(=O)Nc1cncnc1.COC(=O)c1cccnc1NC(=O)CC(C)C.COC(=O)c1ccnc(NC(=O)CC(C)C)c1.COc1ccc(NC(=O)CC(C)C)nn1.COc1cnc(NC(=O)CC(C)C)cn1.COc1cncc(NC(=O)CC(C)C)n1.COc1cncnc1NC(=O)CC(C)C.[C-]#[N+]c1ncc(NC(=O)CC(C)C)cn1.[C-]#[N+]c1nccc(NC(=O)CC(C)C)n1
InChIInChI=1S/4C12H16N2O3.C11H15N3O2.2C10H12N4O.4C10H15N3O2.C9H13N3O2.3C9H13N3O/c1-8(2)6-11(15)14-10-7-9(4-5-13-10)12(16)17-3;1-8(2)7-10(15)14-11-9(12(16)17-3)5-4-6-13-11;1-9(2)5-12(16)14-11-4-3-10(6-13-11)7-17-8-15;1-9(2)6-12(16)14-11-5-3-4-10(13-11)7-17-8-15;1-7(2)5-10(15)14-9-6-8(11(12)16)3-4-13-9;1-7(2)4-9(15)14-8-5-12-10(11-3)13-6-8;1-7(2)6-9(15)13-8-4-5-12-10(11-3)14-8;1-7(2)4-9(14)13-10-8(15-3)5-11-6-12-10;1-7(2)4-9(14)13-8-5-12-10(15-3)6-11-8;1-7(2)4-9(14)12-8-5-11-6-10(13-8)15-3;1-7(2)6-9(14)11-8-4-5-10(15-3)13-12-8;1-6(2)3-8(13)12-7-4-10-9(14)11-5-7;1-7(2)3-9(13)12-8-4-10-6-11-5-8;1-7(2)5-9(13)12-8-3-4-10-11-6-8;1-7(2)6-9(13)11-8-4-3-5-10-12-8/h4-5,7-8H,6H2,1-3H3,(H,13,14,15);4-6,8H,7H2,1-3H3,(H,13,14,15);3-4,6,8-9H,5,7H2,1-2H3,(H,13,14,16);3-5,8-9H,6-7H2,1-2H3,(H,13,14,16);3-4,6-7H,5H2,1-2H3,(H2,12,16)(H,13,14,15);5-7H,4H2,1-2H3,(H,14,15);4-5,7H,6H2,1-2H3,(H,12,13,14,15);5-7H,4H2,1-3H3,(H,11,12,13,14);5-7H,4H2,1-3H3,(H,11,13,14);5-7H,4H2,1-3H3,(H,12,13,14);4-5,7H,6H2,1-3H3,(H,11,12,14);4-6H,3H2,1-2H3,(H,12,13)(H,10,11,14);4-7H,3H2,1-2H3,(H,12,13);3-4,6-7H,5H2,1-2H3,(H,10,12,13);3-5,7H,6H2,1-2H3,(H,11,12,13)
InChIKeyNRJKXOAAWROKSG-UHFFFAOYSA-N
XLogP23.39
TPSA972.65 Ų
H-Bond Donors17
H-Bond Acceptors53
Rotatable Bonds58
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003144.70
LogP ≤ 523.39
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide with MolForge

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Related Compounds

4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 139512693
6-[(4,5-dimethyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157409149
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158382327
6-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158477814
6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158832846
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158922092
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-6-[(6-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 159298462
6-[(6-ethoxypyridazin-3-yl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161021829
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-6-[(6-methoxy-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161336203
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(5-methylpyrazin-2-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161464217
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-6-[(4-methoxy-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161564814
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(5-morpholin-4-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161806627

Frequently Asked Questions

What is the IUPAC name of N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide?
The IUPAC name of N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide (CID 159862922) is N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide.
What is the SMILES notation for N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide?
The canonical SMILES for N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide is CC(C)CC(=O)Nc1cc(C(N)=O)ccn1.CC(C)CC(=O)Nc1ccc(COC=O)cn1.CC(C)CC(=O)Nc1cccc(COC=O)n1.CC(C)CC(=O)Nc1cccnn1.CC(C)CC(=O)Nc1ccnnc1.CC(C)CC(=O)Nc1cnc(=O)[nH]c1.CC(C)CC(=O)Nc1cncnc1.COC(=O)c1cccnc1NC(=O)CC(C)C.COC(=O)c1ccnc(NC(=O)CC(C)C)c1.COc1ccc(NC(=O)CC(C)C)nn1.COc1cnc(NC(=O)CC(C)C)cn1.COc1cncc(NC(=O)CC(C)C)n1.COc1cncnc1NC(=O)CC(C)C.[C-]#[N+]c1ncc(NC(=O)CC(C)C)cn1.[C-]#[N+]c1nccc(NC(=O)CC(C)C)n1.
What is the InChIKey of N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide?
The InChIKey is NRJKXOAAWROKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H16N2O3.C11H15N3O2.2C10H12N4O.4C10H15N3O2.C9H13N3O2.3C9H13N3O/c1-8(2)6-11(15)14-10-7-9(4-5-13-10)12(16)17-3;1-8(2)7-10(15)14-11-9(12(16)17-3)5-4-6-13-11;1-9(2)5-12(16)14-11-4-3-10(6-13-11)7-17-8-15;1-9(2)6-12(16)14-11-5-3-4-10(13-11)7-17-8-15;1-7(2)5-10(15)14-9-6-8(11(12)16)3-4-13-9;1-7(2)4-9(15)14-8-5-12-10(11-3)13-6-8;1-7(2)6-9(15)13-8-4-5-12-10(11-3)14-8;1-7(2)4-9(14)13-10-8(15-3)5-11-6-12-10;1-7(2)4-9(14)13-8-5-12-10(15-3)6-11-8;1-7(2)4-9(14)12-8-5-11-6-10(13-8)15-3;1-7(2)6-9(14)11-8-4-5-10(15-3)13-12-8;1-6(2)3-8(13)12-7-4-10-9(14)11-5-7;1-7(2)3-9(13)12-8-4-10-6-11-5-8;1-7(2)5-9(13)12-8-3-4-10-11-6-8;1-7(2)6-9(13)11-8-4-3-5-10-12-8/h4-5,7-8H,6H2,1-3H3,(H,13,14,15);4-6,8H,7H2,1-3H3,(H,13,14,15);3-4,6,8-9H,5,7H2,1-2H3,(H,13,14,16);3-5,8-9H,6-7H2,1-2H3,(H,13,14,16);3-4,6-7H,5H2,1-2H3,(H2,12,16)(H,13,14,15);5-7H,4H2,1-2H3,(H,14,15);4-5,7H,6H2,1-2H3,(H,12,13,14,15);5-7H,4H2,1-3H3,(H,11,12,13,14);5-7H,4H2,1-3H3,(H,11,13,14);5-7H,4H2,1-3H3,(H,12,13,14);4-5,7H,6H2,1-3H3,(H,11,12,14);4-6H,3H2,1-2H3,(H,12,13)(H,10,11,14);4-7H,3H2,1-2H3,(H,12,13);3-4,6-7H,5H2,1-2H3,(H,10,12,13);3-5,7H,6H2,1-2H3,(H,11,12,13).
What are the key properties of N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide?
N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide has a molecular weight of 3144.70 g/mol, XLogP of 23.39, 58 rotatable bonds, 17 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide is sourced from PubChem (CID 159862922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).