N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide

C15H14N4O — CID 104641090

IUPACN-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCc2ccc(C#N)cc2)nc1
InChIInChI=1S/C15H14N4O/c1-17-13-6-7-14(18-10-13)15(20)19-9-12-4-2-11(8-16)3-5-12/h2-7,10,17H,9H2,1H3,(H,19,20)
InChIKeyFDZLFPDCHJHQCG-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.92
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide

N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide (PubChem CID 104641090) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
PubChem CID104641090
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCc2ccc(C#N)cc2)nc1
InChIInChI=1S/C15H14N4O/c1-17-13-6-7-14(18-10-13)15(20)19-9-12-4-2-11(8-16)3-5-12/h2-7,10,17H,9H2,1H3,(H,19,20)
InChIKeyFDZLFPDCHJHQCG-UHFFFAOYSA-N
XLogP1.92
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193758
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122
6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
CID 89292810
5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 104641171
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 114180964
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide (CID 104641090) is N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide is CNc1ccc(C(=O)NCc2ccc(C#N)cc2)nc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is FDZLFPDCHJHQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-17-13-6-7-14(18-10-13)15(20)19-9-12-4-2-11(8-16)3-5-12/h2-7,10,17H,9H2,1H3,(H,19,20).
What are the key properties of N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide?
N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).