N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide

C13H17N3O2 — CID 71792389

IUPACN-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCN(C)CC#CCNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C13H17N3O2/c1-15(2)9-5-4-8-14-12(17)11-7-6-10-16(3)13(11)18/h6-7,10H,8-9H2,1-3H3,(H,14,17)
InChIKeyHACVRYWQRDSQSF-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.32
Rot. Bonds3

About N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71792389) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID71792389
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCN(C)CC#CCNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C13H17N3O2/c1-15(2)9-5-4-8-14-12(17)11-7-6-10-16(3)13(11)18/h6-7,10H,8-9H2,1-3H3,(H,14,17)
InChIKeyHACVRYWQRDSQSF-UHFFFAOYSA-N
XLogP-0.32
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-3-pyridinecarboxamide
CID 258299
1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 12791801
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-(but-3-yn-1-yl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56765701
2-oxo-N-(4-(piperidin-1-yl)but-2-yn-1-yl)-1,2-dihydropyridine-3-carboxamide
CID 71792624
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 13928728
1-(n-Propyl)-nicotinamide
CID 21881589
1-Ethylnicotinamide
CID 21881596
2-Hydroxy-n,n-diethylnicotinamide
CID 59042094
N-[(2S)-3-methylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 29842094

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 71792389) is N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide is CN(C)CC#CCNC(=O)c1cccn(C)c1=O.
What is the InChIKey of N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is HACVRYWQRDSQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15(2)9-5-4-8-14-12(17)11-7-6-10-16(3)13(11)18/h6-7,10H,8-9H2,1-3H3,(H,14,17).
What are the key properties of N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)but-2-ynyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71792389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).