4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide

C14H16N4O — CID 60874908

IUPAC4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCc2ccc(N)cc2)ccn1
InChIInChI=1S/C14H16N4O/c1-16-14(19)13-8-12(6-7-17-13)18-9-10-2-4-11(15)5-3-10/h2-8H,9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyKIZLLNNDPFCWLD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.64
Rot. Bonds4

About 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide

4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide (PubChem CID 60874908) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
PubChem CID60874908
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCc2ccc(N)cc2)ccn1
InChIInChI=1S/C14H16N4O/c1-16-14(19)13-8-12(6-7-17-13)18-9-10-2-4-11(15)5-3-10/h2-8H,9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyKIZLLNNDPFCWLD-UHFFFAOYSA-N
XLogP1.64
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(4-aminophenyl)methylamino]-N-methylpyridine-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

4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
CID 60893530
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
N-methyl-4-[(5-methylpyrazin-2-yl)methylamino]pyridine-2-carboxamide
CID 62845761
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242
4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
CID 66006288
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide (CID 60874908) is 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NCc2ccc(N)cc2)ccn1.
What is the InChIKey of 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is KIZLLNNDPFCWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-16-14(19)13-8-12(6-7-17-13)18-9-10-2-4-11(15)5-3-10/h2-8H,9,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide?
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 60874908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).