4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide

C13H12N2O2 — CID 90891689

IUPAC4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1C(O)c1ccccc1
InChIInChI=1S/C13H12N2O2/c14-13(17)11-8-15-7-6-10(11)12(16)9-4-2-1-3-5-9/h1-8,12,16H,(H2,14,17)
InChIKeySOMTYNDQZZHFDC-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.26
Rot. Bonds3

About 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide

4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide (PubChem CID 90891689) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide
PubChem CID90891689
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1C(O)c1ccccc1
InChIInChI=1S/C13H12N2O2/c14-13(17)11-8-15-7-6-10(11)12(16)9-4-2-1-3-5-9/h1-8,12,16H,(H2,14,17)
InChIKeySOMTYNDQZZHFDC-UHFFFAOYSA-N
XLogP1.26
TPSA76.21 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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
5-Phenylpyridine-3-carboxylic acid
CID 346160
4-Pyridin-3-yl-benzoic acid
CID 1515244
3-(Pyridin-4-yl)benzoic acid
CID 2795562
2-(Pyridin-4-yl)benzoic acid
CID 12130775
N-Pyridin-3-ylmethyl-phthalamic acid
CID 654317
3-hydroxy-2-(pyridin-4-yl)-1H-inden-1-one
CID 666159
Anthranilic acid, N-nicotinoyl-
CID 201533
2-Phenylnicotinic acid
CID 97489
4-(Pyridin-4-yl)benzoic acid
CID 1520811
4-Phenylnicotinic acid
CID 2762933

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide (CID 90891689) is 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide is NC(=O)c1cnccc1C(O)c1ccccc1.
What is the InChIKey of 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide?
The InChIKey is SOMTYNDQZZHFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-13(17)11-8-15-7-6-10(11)12(16)9-4-2-1-3-5-9/h1-8,12,16H,(H2,14,17).
What are the key properties of 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide?
4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90891689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).