N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide

C13H12N2O2 — CID 47292120

IUPACN-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1ccncc1
InChIInChI=1S/C13H12N2O2/c16-12-3-1-2-10(8-12)9-15-13(17)11-4-6-14-7-5-11/h1-8,16H,9H2,(H,15,17)
InChIKeyYMZOUXSUCUJULN-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.72
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide

N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 47292120) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID47292120
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1ccncc1
InChIInChI=1S/C13H12N2O2/c16-12-3-1-2-10(8-12)9-15-13(17)11-4-6-14-7-5-11/h1-8,16H,9H2,(H,15,17)
InChIKeyYMZOUXSUCUJULN-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide
CID 155734185
3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 107519523
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 20714672

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide (CID 47292120) is N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide is O=C(NCc1cccc(O)c1)c1ccncc1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is YMZOUXSUCUJULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-3-1-2-10(8-12)9-15-13(17)11-4-6-14-7-5-11/h1-8,16H,9H2,(H,15,17).
What are the key properties of N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide?
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 47292120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).