3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide

C13H10N4O2 — CID 107589634

IUPAC3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide
SMILESO=C(Nc1cncnc1)c1ncccc1C#CCO
InChIInChI=1S/C13H10N4O2/c18-6-2-4-10-3-1-5-16-12(10)13(19)17-11-7-14-9-15-8-11/h1,3,5,7-9,18H,6H2,(H,17,19)
InChIKeyFANYQLINMGWUQS-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.47
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide (PubChem CID 107589634) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide
PubChem CID107589634
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide
SMILESO=C(Nc1cncnc1)c1ncccc1C#CCO
InChIInChI=1S/C13H10N4O2/c18-6-2-4-10-3-1-5-16-12(10)13(19)17-11-7-14-9-15-8-11/h1,3,5,7-9,18H,6H2,(H,17,19)
InChIKeyFANYQLINMGWUQS-UHFFFAOYSA-N
XLogP0.47
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-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-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107520897
3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 107523313
N-(4-fluoro-3-methylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107522279
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521373
3-(3-hydroxyprop-1-ynyl)-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 107523295
3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide
CID 107522748
3-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 107520997
3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide
CID 107522957
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-pyrimidin-5-ylbenzamide
CID 107589604
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylbenzamide
CID 107589626
N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523135

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide (CID 107589634) is 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide is O=C(Nc1cncnc1)c1ncccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide?
The InChIKey is FANYQLINMGWUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-6-2-4-10-3-1-5-16-12(10)13(19)17-11-7-14-9-15-8-11/h1,3,5,7-9,18H,6H2,(H,17,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide is sourced from PubChem (CID 107589634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).