2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide

C15H17N3O — CID 114326595

IUPAC2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(CN)c1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-11(12-5-3-2-4-6-12)18-15(19)13-7-8-17-14(9-13)10-16/h2-9,11H,10,16H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyLWALHKMUBQKVQM-NSHDSACASA-N
MW255.32 g/mol
LogP2.03
Rot. Bonds4

About 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide (PubChem CID 114326595) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
PubChem CID114326595
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(CN)c1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-11(12-5-3-2-4-6-12)18-15(19)13-7-8-17-14(9-13)10-16/h2-9,11H,10,16H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyLWALHKMUBQKVQM-NSHDSACASA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-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

2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112520281
2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 104860738
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114326404
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
CID 114326241

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide (CID 114326595) is 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccnc(CN)c1)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide?
The InChIKey is LWALHKMUBQKVQM-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(12-5-3-2-4-6-12)18-15(19)13-7-8-17-14(9-13)10-16/h2-9,11H,10,16H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).