N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide

C10H10N2O2 — CID 114389718

IUPACN-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide
SMILESC#CC(C)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H10N2O2/c1-3-7(2)12-10(14)8-4-5-9(13)11-6-8/h1,4-7H,2H3,(H,11,13)(H,12,14)
InChIKeyXAMQIRSIUVULEH-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.13
Rot. Bonds2

About N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide

N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 114389718) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID114389718
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide
SMILESC#CC(C)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H10N2O2/c1-3-7(2)12-10(14)8-4-5-9(13)11-6-8/h1,4-7H,2H3,(H,11,13)(H,12,14)
InChIKeyXAMQIRSIUVULEH-UHFFFAOYSA-N
XLogP0.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
N-but-3-yn-2-yl-6-oxopyran-3-carboxamide
CID 114418995
N-but-3-yn-2-yl-4-(trifluoromethyl)benzamide
CID 114390042
N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 106355182
N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114178134
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-[1-(4-fluorophenyl)propan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 60794170
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 87913020
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 86605303
N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide (CID 114389718) is N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide is C#CC(C)NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XAMQIRSIUVULEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-7(2)12-10(14)8-4-5-9(13)11-6-8/h1,4-7H,2H3,(H,11,13)(H,12,14).
What are the key properties of N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide?
N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 190.20 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114389718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).