2-ethynylpyridine-4-carboxamide

C8H6N2O — CID 74891629

IUPAC2-ethynylpyridine-4-carboxamide
SMILESC#Cc1cc(C(N)=O)ccn1
InChIInChI=1S/C8H6N2O/c1-2-7-5-6(8(9)11)3-4-10-7/h1,3-5H,(H2,9,11)
InChIKeyQSVONCCSLNUGQM-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.16
Rot. Bonds1

About 2-ethynylpyridine-4-carboxamide

2-ethynylpyridine-4-carboxamide (PubChem CID 74891629) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-ethynylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethynylpyridine-4-carboxamide
PubChem CID74891629
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2-ethynylpyridine-4-carboxamide
SMILESC#Cc1cc(C(N)=O)ccn1
InChIInChI=1S/C8H6N2O/c1-2-7-5-6(8(9)11)3-4-10-7/h1,3-5H,(H2,9,11)
InChIKeyQSVONCCSLNUGQM-UHFFFAOYSA-N
XLogP0.16
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
2-(chloromethyl)pyridine-4-carboxamide
CID 22993396
2-propan-2-ylpyridine-4-carboxamide
CID 53424773
2-(methylamino)pyridine-4-carboxamide
CID 45084294
2-(carbamothioylamino)pyridine-4-carboxamide
CID 175468942
2-(2-methylimidazol-1-yl)pyridine-4-carboxamide
CID 63811666
2-(4-aminophenoxy)pyridine-4-carboxamide
CID 54909039
2-propylsulfanylpyridine-4-carboxamide
CID 22298978
tert-butyl N-(2-ethynyl-4-pyridinyl)carbamate
CID 121231998
butanamide;2-chloropyridine-4-carboxamide
CID 174570819
hydrazine;pyridine-4-carboxamide;hydrate
CID 170336563
2-(2-pyridin-2-ylethynyl)pyridine-4-carboxylic acid
CID 118478791

Frequently Asked Questions

What is the IUPAC name of 2-ethynylpyridine-4-carboxamide?
The IUPAC name of 2-ethynylpyridine-4-carboxamide (CID 74891629) is 2-ethynylpyridine-4-carboxamide.
What is the SMILES notation for 2-ethynylpyridine-4-carboxamide?
The canonical SMILES for 2-ethynylpyridine-4-carboxamide is C#Cc1cc(C(N)=O)ccn1.
What is the InChIKey of 2-ethynylpyridine-4-carboxamide?
The InChIKey is QSVONCCSLNUGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-2-7-5-6(8(9)11)3-4-10-7/h1,3-5H,(H2,9,11).
What are the key properties of 2-ethynylpyridine-4-carboxamide?
2-ethynylpyridine-4-carboxamide has a molecular weight of 146.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylpyridine-4-carboxamide is sourced from PubChem (CID 74891629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).