5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide

C16H14N2O3 — CID 63852247

IUPAC5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1cncc(O)c1
InChIInChI=1S/C16H14N2O3/c19-8-4-3-6-12-5-1-2-7-15(12)18-16(21)13-9-14(20)11-17-10-13/h1-2,5,7,9-11,19-20H,4,8H2,(H,18,21)
InChIKeyDCVUIVMQKXFWBU-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.77
Rot. Bonds3

About 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide

5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide (PubChem CID 63852247) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
PubChem CID63852247
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1cncc(O)c1
InChIInChI=1S/C16H14N2O3/c19-8-4-3-6-12-5-1-2-7-15(12)18-16(21)13-9-14(20)11-17-10-13/h1-2,5,7,9-11,19-20H,4,8H2,(H,18,21)
InChIKeyDCVUIVMQKXFWBU-UHFFFAOYSA-N
XLogP1.77
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798
N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide
CID 54923100
5-hydroxy-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 55258131
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
2-[2-[(5-hydroxypyridine-3-carbonyl)amino]phenyl]acetic acid
CID 63849973
5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 63852076
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide
CID 63850539
N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 64895437
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922406

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide (CID 63852247) is 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C#CCCO)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide?
The InChIKey is DCVUIVMQKXFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-8-4-3-6-12-5-1-2-7-15(12)18-16(21)13-9-14(20)11-17-10-13/h1-2,5,7,9-11,19-20H,4,8H2,(H,18,21).
What are the key properties of 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide?
5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 63852247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).