4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide

C16H19N3O — CID 115116947

IUPAC4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2cc(CN)ccn2)cc1
InChIInChI=1S/C16H19N3O/c1-2-3-12-4-6-14(7-5-12)19-16(20)15-10-13(11-17)8-9-18-15/h4-10H,2-3,11,17H2,1H3,(H,19,20)
InChIKeyFAKINMSWPDLEFR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.75
Rot. Bonds5

About 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide

4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide (PubChem CID 115116947) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide
PubChem CID115116947
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2cc(CN)ccn2)cc1
InChIInChI=1S/C16H19N3O/c1-2-3-12-4-6-14(7-5-12)19-16(20)15-10-13(11-17)8-9-18-15/h4-10H,2-3,11,17H2,1H3,(H,19,20)
InChIKeyFAKINMSWPDLEFR-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(4-propylphenyl)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

4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 115116953
4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide
CID 9225392
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide
CID 114922194
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
1-(4-propyl-2-pyridinyl)ethanone
CID 23003444
2-N-(4-ethylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087726
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
CID 59446849
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
N,4-dimethylpyridine-2-carboxamide;1-methyl-4-propylbenzene
CID 144587299
3-amino-4-chloro-N-(4-propylphenyl)benzamide
CID 43378583
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide (CID 115116947) is 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide is CCCc1ccc(NC(=O)c2cc(CN)ccn2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide?
The InChIKey is FAKINMSWPDLEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-3-12-4-6-14(7-5-12)19-16(20)15-10-13(11-17)8-9-18-15/h4-10H,2-3,11,17H2,1H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide?
4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 115116947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).