N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide

C10H10N2O2 — CID 56765699

IUPACN-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide
SMILESC#CCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H10N2O2/c1-2-3-6-11-9(13)8-5-4-7-12-10(8)14/h1,4-5,7H,3,6H2,(H,11,13)(H,12,14)
InChIKeyROUXCDUEEVSDEJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.13
Rot. Bonds3

About N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide

N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56765699) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56765699
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide
SMILESC#CCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H10N2O2/c1-2-3-6-11-9(13)8-5-4-7-12-10(8)14/h1,4-5,7H,3,6H2,(H,11,13)(H,12,14)
InChIKeyROUXCDUEEVSDEJ-UHFFFAOYSA-N
XLogP0.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-3-pyridinecarboxamide
CID 258299
2-oxo-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyridine-3-carboxamide
CID 47256613
N-(but-3-yn-1-yl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56765701
N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 13928728
2-Hydroxy-n,n-diethylnicotinamide
CID 59042094
N-[(2S)-3-methylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 29842094
2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 30481294
3-Dimethylcarbamoylhydroxypyridine
CID 19704430
3,3'-(1,2-Ethynediyl)bis(2-pyridone)
CID 90772115
N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114383719
N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 136545355
1-(difluoromethyl)-N-ethyl-2-oxopyridine-3-carboxamide
CID 172376633

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide (CID 56765699) is N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide is C#CCCNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ROUXCDUEEVSDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-3-6-11-9(13)8-5-4-7-12-10(8)14/h1,4-5,7H,3,6H2,(H,11,13)(H,12,14).
What are the key properties of N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide?
N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 190.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56765699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).