4-(3-cyano-N-methylanilino)pyridine-2-carboxamide

C14H12N4O — CID 62983495

IUPAC4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
SMILESCN(c1cccc(C#N)c1)c1ccnc(C(N)=O)c1
InChIInChI=1S/C14H12N4O/c1-18(11-4-2-3-10(7-11)9-15)12-5-6-17-13(8-12)14(16)19/h2-8H,1H3,(H2,16,19)
InChIKeyIPQSYFPSMJTIJA-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide

4-(3-cyano-N-methylanilino)pyridine-2-carboxamide (PubChem CID 62983495) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
PubChem CID62983495
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
SMILESCN(c1cccc(C#N)c1)c1ccnc(C(N)=O)c1
InChIInChI=1S/C14H12N4O/c1-18(11-4-2-3-10(7-11)9-15)12-5-6-17-13(8-12)14(16)19/h2-8H,1H3,(H2,16,19)
InChIKeyIPQSYFPSMJTIJA-UHFFFAOYSA-N
XLogP1.82
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382290
3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
CID 62981408
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
CID 62983159
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 123368878
4-[methyl(2-phenylethyl)amino]pyridine-2-carboxamide
CID 75509679
4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116825
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 62982382
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide?
The IUPAC name of 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide (CID 62983495) is 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide is CN(c1cccc(C#N)c1)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide?
The InChIKey is IPQSYFPSMJTIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-18(11-4-2-3-10(7-11)9-15)12-5-6-17-13(8-12)14(16)19/h2-8H,1H3,(H2,16,19).
What are the key properties of 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide?
4-(3-cyano-N-methylanilino)pyridine-2-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-N-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 62983495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).