3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide

C13H12N2O2 — CID 10466316

IUPAC3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ncccc1CO
InChIInChI=1S/C13H12N2O2/c16-9-10-5-4-8-14-12(10)13(17)15-11-6-2-1-3-7-11/h1-8,16H,9H2,(H,15,17)
InChIKeyBGAGOLQJWVICAL-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.83
Rot. Bonds3

About 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide

3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide (PubChem CID 10466316) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
PubChem CID10466316
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ncccc1CO
InChIInChI=1S/C13H12N2O2/c16-9-10-5-4-8-14-12(10)13(17)15-11-6-2-1-3-7-11/h1-8,16H,9H2,(H,15,17)
InChIKeyBGAGOLQJWVICAL-UHFFFAOYSA-N
XLogP1.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-phenylbenzamide
CID 14198283
3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 107518361
(2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid
CID 91232620
N-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343590
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725
propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144649
benzyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 145128484
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 158114259
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104741943
4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide
CID 66821605
4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide
CID 59301844

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide (CID 10466316) is 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide is O=C(Nc1ccccc1)c1ncccc1CO.
What is the InChIKey of 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide?
The InChIKey is BGAGOLQJWVICAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-9-10-5-4-8-14-12(10)13(17)15-11-6-2-1-3-7-11/h1-8,16H,9H2,(H,15,17).
What are the key properties of 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide?
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 10466316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).