N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide

C11H12N2O2 — CID 56765701

IUPACN-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide
SMILESC#CCCNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C11H12N2O2/c1-3-4-7-12-10(14)9-6-5-8-13(2)11(9)15/h1,5-6,8H,4,7H2,2H3,(H,12,14)
InChIKeyVLXLLWPBOBQLMK-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.14
Rot. Bonds3

About N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide

N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 56765701) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID56765701
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide
SMILESC#CCCNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C11H12N2O2/c1-3-4-7-12-10(14)9-6-5-8-13(2)11(9)15/h1,5-6,8H,4,7H2,2H3,(H,12,14)
InChIKeyVLXLLWPBOBQLMK-UHFFFAOYSA-N
XLogP0.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-oxo-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyridine-3-carboxamide
CID 47256613
N-(but-3-yn-1-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56765699
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
N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 136545355
1-(difluoromethyl)-N-ethyl-2-oxopyridine-3-carboxamide
CID 172376633
N-[4-(dimethylamino)but-2-yn-1-yl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71792389
N-Acetyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 13466162
N-ethyl-2-oxo-1H-pyridine-3-carboxamide
CID 10487253

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide (CID 56765701) is N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide is C#CCCNC(=O)c1cccn(C)c1=O.
What is the InChIKey of N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VLXLLWPBOBQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-4-7-12-10(14)9-6-5-8-13(2)11(9)15/h1,5-6,8H,4,7H2,2H3,(H,12,14).
What are the key properties of N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide?
N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56765701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).