3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide

C10H10N2O2 — CID 66482048

IUPAC3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1C#CCCO
InChIInChI=1S/C10H10N2O2/c11-10(14)9-4-5-12-7-8(9)3-1-2-6-13/h4-5,7,13H,2,6H2,(H2,11,14)
InChIKeyIJLSGQFOEKJJPJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.09
Rot. Bonds2

About 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide

3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (PubChem CID 66482048) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
PubChem CID66482048
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1C#CCCO
InChIInChI=1S/C10H10N2O2/c11-10(14)9-4-5-12-7-8(9)3-1-2-6-13/h4-5,7,13H,2,6H2,(H2,11,14)
InChIKeyIJLSGQFOEKJJPJ-UHFFFAOYSA-N
XLogP-0.09
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 106240662
N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66483431
3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 79360832
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 66483025
3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
CID 66483410
4-[3-(4-hydroxybut-1-ynyl)pyridine-4-carbonyl]piperazine-2,6-dione
CID 66483077
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
3-(4-hydroxybut-1-ynyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-4-carboxamide
CID 66483448
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66482459

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (CID 66482048) is 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is NC(=O)c1ccncc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The InChIKey is IJLSGQFOEKJJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-10(14)9-4-5-12-7-8(9)3-1-2-6-13/h4-5,7,13H,2,6H2,(H2,11,14).
What are the key properties of 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide has a molecular weight of 190.20 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).