N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide

C15H17N3O2 — CID 10149325

IUPACN-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
SMILESO=C(NCCCCO)c1ccnc(-c2ccccn2)c1
InChIInChI=1S/C15H17N3O2/c19-10-4-3-8-18-15(20)12-6-9-17-14(11-12)13-5-1-2-7-16-13/h1-2,5-7,9,11,19H,3-4,8,10H2,(H,18,20)
InChIKeyHLEXQQDGZSEBPQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.65
Rot. Bonds6

About N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide

N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide (PubChem CID 10149325) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
PubChem CID10149325
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
SMILESO=C(NCCCCO)c1ccnc(-c2ccccn2)c1
InChIInChI=1S/C15H17N3O2/c19-10-4-3-8-18-15(20)12-6-9-17-14(11-12)13-5-1-2-7-16-13/h1-2,5-7,9,11,19H,3-4,8,10H2,(H,18,20)
InChIKeyHLEXQQDGZSEBPQ-UHFFFAOYSA-N
XLogP1.65
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-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-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 10361759
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
N-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyridine-4-carboxamide
CID 10193154
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 23251114
N-(4-hydroxybutyl)pyridazine-4-carboxamide
CID 106843632
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide
CID 121494281

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide (CID 10149325) is N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide is O=C(NCCCCO)c1ccnc(-c2ccccn2)c1.
What is the InChIKey of N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide?
The InChIKey is HLEXQQDGZSEBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-10-4-3-8-18-15(20)12-6-9-17-14(11-12)13-5-1-2-7-16-13/h1-2,5-7,9,11,19H,3-4,8,10H2,(H,18,20).
What are the key properties of N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide?
N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 10149325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).