2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide

C16H19N3O — CID 114326876

IUPAC2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)c2ccnc(CN)c2)c1
InChIInChI=1S/C16H19N3O/c1-11-4-3-5-13(8-11)12(2)19-16(20)14-6-7-18-15(9-14)10-17/h3-9,12H,10,17H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyUUFSTZYXBQHDCK-LBPRGKRZSA-N
MW269.35 g/mol
LogP2.34
Rot. Bonds4

About 2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 114326876) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID114326876
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)c2ccnc(CN)c2)c1
InChIInChI=1S/C16H19N3O/c1-11-4-3-5-13(8-11)12(2)19-16(20)14-6-7-18-15(9-14)10-17/h3-9,12H,10,17H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyUUFSTZYXBQHDCK-LBPRGKRZSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
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
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81361437
4-amino-3-chloro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360388
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 104860738
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114326404
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
2-(aminomethyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114325728

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide (CID 114326876) is 2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide is Cc1cccc([C@H](C)NC(=O)c2ccnc(CN)c2)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is UUFSTZYXBQHDCK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-4-3-5-13(8-11)12(2)19-16(20)14-6-7-18-15(9-14)10-17/h3-9,12H,10,17H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.34, 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-(3-methylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).