N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide

C13H13N3O2 — CID 64895437

IUPACN-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide
SMILESNCc1ccccc1NC(=O)c1cncc(O)c1
InChIInChI=1S/C13H13N3O2/c14-6-9-3-1-2-4-12(9)16-13(18)10-5-11(17)8-15-7-10/h1-5,7-8,17H,6,14H2,(H,16,18)
InChIKeyJURQWPHZTOYWNQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.50
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide

N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 64895437) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide
PubChem CID64895437
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide
SMILESNCc1ccccc1NC(=O)c1cncc(O)c1
InChIInChI=1S/C13H13N3O2/c14-6-9-3-1-2-4-12(9)16-13(18)10-5-11(17)8-15-7-10/h1-5,7-8,17H,6,14H2,(H,16,18)
InChIKeyJURQWPHZTOYWNQ-UHFFFAOYSA-N
XLogP1.50
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 55258131
2-[2-[(5-hydroxypyridine-3-carbonyl)amino]phenyl]acetic acid
CID 63849973
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 47166830
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
CID 63852247
N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide
CID 63754296
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
N-(2-ethoxy-3-pyridinyl)-5-hydroxypyridine-3-carboxamide
CID 63859607
5-hydroxy-N-[2-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63859919
N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63852378

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide (CID 64895437) is N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide is NCc1ccccc1NC(=O)c1cncc(O)c1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is JURQWPHZTOYWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-6-9-3-1-2-4-12(9)16-13(18)10-5-11(17)8-15-7-10/h1-5,7-8,17H,6,14H2,(H,16,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide?
N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 64895437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).