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

C15H17N3O2 — CID 104860738

IUPAC2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)N[C@@H](CO)c2ccccc2)ccn1
InChIInChI=1S/C15H17N3O2/c16-9-13-8-12(6-7-17-13)15(20)18-14(10-19)11-4-2-1-3-5-11/h1-8,14,19H,9-10,16H2,(H,18,20)/t14-/m0/s1
InChIKeyJOMBIYJXVXYBIL-AWEZNQCLSA-N
MW271.32 g/mol
LogP1.00
Rot. Bonds5

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

2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide (PubChem CID 104860738) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
PubChem CID104860738
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)N[C@@H](CO)c2ccccc2)ccn1
InChIInChI=1S/C15H17N3O2/c16-9-13-8-12(6-7-17-13)15(20)18-14(10-19)11-4-2-1-3-5-11/h1-8,14,19H,9-10,16H2,(H,18,20)/t14-/m0/s1
InChIKeyJOMBIYJXVXYBIL-AWEZNQCLSA-N
XLogP1.00
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
CID 63183562
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide
CID 113356437
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 110001583
3-[[6-(aminomethyl)pyrimidin-4-yl]oxymethyl]-N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 135186075
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide (CID 104860738) is 2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide is NCc1cc(C(=O)N[C@@H](CO)c2ccccc2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
The InChIKey is JOMBIYJXVXYBIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-9-13-8-12(6-7-17-13)15(20)18-14(10-19)11-4-2-1-3-5-11/h1-8,14,19H,9-10,16H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 104860738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).