N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide

C13H13N3O2 — CID 74539854

IUPACN-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide
SMILESNc1ccc(CNC(=O)c2ncccc2O)cc1
InChIInChI=1S/C13H13N3O2/c14-10-5-3-9(4-6-10)8-16-13(18)12-11(17)2-1-7-15-12/h1-7,17H,8,14H2,(H,16,18)
InChIKeyIMAJZCTWILDLAN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.30
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide

N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 74539854) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide
PubChem CID74539854
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide
SMILESNc1ccc(CNC(=O)c2ncccc2O)cc1
InChIInChI=1S/C13H13N3O2/c14-10-5-3-9(4-6-10)8-16-13(18)12-11(17)2-1-7-15-12/h1-7,17H,8,14H2,(H,16,18)
InChIKeyIMAJZCTWILDLAN-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide (CID 74539854) is N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide is Nc1ccc(CNC(=O)c2ncccc2O)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is IMAJZCTWILDLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-10-5-3-9(4-6-10)8-16-13(18)12-11(17)2-1-7-15-12/h1-7,17H,8,14H2,(H,16,18).
What are the key properties of N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 74539854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).