3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide

C13H12N4O2 — CID 66482472

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCn1nccc1NC(=O)c1ccncc1C#CCO
InChIInChI=1S/C13H12N4O2/c1-17-12(5-7-15-17)16-13(19)11-4-6-14-9-10(11)3-2-8-18/h4-7,9,18H,8H2,1H3,(H,16,19)
InChIKeyOHFFPFCHGNXPNW-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.41
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 66482472) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
PubChem CID66482472
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCn1nccc1NC(=O)c1ccncc1C#CCO
InChIInChI=1S/C13H12N4O2/c1-17-12(5-7-15-17)16-13(19)11-4-6-14-9-10(11)3-2-8-18/h4-7,9,18H,8H2,1H3,(H,16,19)
InChIKeyOHFFPFCHGNXPNW-UHFFFAOYSA-N
XLogP0.41
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66484078
3-hydroxy-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 81443340
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 63796091
4-chloro-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81226455
3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 66484003
N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484383
N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 114932889
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66483848
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 66482445
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide
CID 66482084

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide (CID 66482472) is 3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide is Cn1nccc1NC(=O)c1ccncc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is OHFFPFCHGNXPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17-12(5-7-15-17)16-13(19)11-4-6-14-9-10(11)3-2-8-18/h4-7,9,18H,8H2,1H3,(H,16,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 0.41, 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-(2-methylpyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66482472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).