N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride

C13H14ClN3O2 — CID 164624480

IUPACN-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride
SMILESCl.NCc1ccc(NC(=O)c2ncccc2O)cc1
InChIInChI=1S/C13H13N3O2.ClH/c14-8-9-3-5-10(6-4-9)16-13(18)12-11(17)2-1-7-15-12;/h1-7,17H,8,14H2,(H,16,18);1H
InChIKeyBYRLRFYAKAWBII-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.92
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride

N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride (PubChem CID 164624480) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride
PubChem CID164624480
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride
SMILESCl.NCc1ccc(NC(=O)c2ncccc2O)cc1
InChIInChI=1S/C13H13N3O2.ClH/c14-8-9-3-5-10(6-4-9)16-13(18)12-11(17)2-1-7-15-12;/h1-7,17H,8,14H2,(H,16,18);1H
InChIKeyBYRLRFYAKAWBII-UHFFFAOYSA-N
XLogP1.92
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride (CID 164624480) is N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride is Cl.NCc1ccc(NC(=O)c2ncccc2O)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride?
The InChIKey is BYRLRFYAKAWBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2.ClH/c14-8-9-3-5-10(6-4-9)16-13(18)12-11(17)2-1-7-15-12;/h1-7,17H,8,14H2,(H,16,18);1H.
What are the key properties of N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride?
N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride has a molecular weight of 279.73 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 164624480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).