difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine

C24H27F3N4O2 — CID 143716185

IUPACdifluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine
SMILESCNC(C)C.FCF.O=Cc1cccc(C(=O)NCc2ccc(-c3cccc(F)c3)nc2)n1
InChIInChI=1S/C19H14FN3O2.C4H11N.CH2F2/c20-15-4-1-3-14(9-15)17-8-7-13(10-21-17)11-22-19(25)18-6-2-5-16(12-24)23-18;1-4(2)5-3;2-1-3/h1-10,12H,11H2,(H,22,25);4-5H,1-3H3;1H2
InChIKeyYXXQKCWIXMQQDL-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.52
Rot. Bonds6

About difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine

difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine (PubChem CID 143716185) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine.

Molecular Properties

Compound Namedifluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine
PubChem CID143716185
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC Namedifluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine
SMILESCNC(C)C.FCF.O=Cc1cccc(C(=O)NCc2ccc(-c3cccc(F)c3)nc2)n1
InChIInChI=1S/C19H14FN3O2.C4H11N.CH2F2/c20-15-4-1-3-14(9-15)17-8-7-13(10-21-17)11-22-19(25)18-6-2-5-16(12-24)23-18;1-4(2)5-3;2-1-3/h1-10,12H,11H2,(H,22,25);4-5H,1-3H3;1H2
InChIKeyYXXQKCWIXMQQDL-UHFFFAOYSA-N
XLogP4.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine with MolForge

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Related Compounds

2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70300494
5-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56598625
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 66718908
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
CID 125179850
6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine
CID 118634314
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 113323529
5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66632627
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647

Frequently Asked Questions

What is the IUPAC name of difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine?
The IUPAC name of difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine (CID 143716185) is difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine.
What is the SMILES notation for difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine?
The canonical SMILES for difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine is CNC(C)C.FCF.O=Cc1cccc(C(=O)NCc2ccc(-c3cccc(F)c3)nc2)n1.
What is the InChIKey of difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine?
The InChIKey is YXXQKCWIXMQQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2.C4H11N.CH2F2/c20-15-4-1-3-14(9-15)17-8-7-13(10-21-17)11-22-19(25)18-6-2-5-16(12-24)23-18;1-4(2)5-3;2-1-3/h1-10,12H,11H2,(H,22,25);4-5H,1-3H3;1H2.
What are the key properties of difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine?
difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine has a molecular weight of 460.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine is sourced from PubChem (CID 143716185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).