1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide

C16H20N2O2S — CID 95295495

IUPAC1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1cccs1
InChIInChI=1S/C16H20N2O2S/c1-11(2)9-13(14-5-4-8-21-14)17-16(20)12-6-7-15(19)18(3)10-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyCZHRHZVGJDBBPY-ZDUSSCGKSA-N
MW304.42 g/mol
LogP2.96
Rot. Bonds5

About 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide

1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide (PubChem CID 95295495) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide
PubChem CID95295495
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1cccs1
InChIInChI=1S/C16H20N2O2S/c1-11(2)9-13(14-5-4-8-21-14)17-16(20)12-6-7-15(19)18(3)10-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyCZHRHZVGJDBBPY-ZDUSSCGKSA-N
XLogP2.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
CID 178026796
1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 110223746
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55923133
3-(difluoromethoxy)-4-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55921720
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
N-(3-methyl-1-thiophen-2-ylbutyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55921712
N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 94814587
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 86834346
N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55923006
1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide
CID 94813373
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
CID 86822216

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide (CID 95295495) is 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide is CC(C)C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1cccs1.
What is the InChIKey of 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide?
The InChIKey is CZHRHZVGJDBBPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)9-13(14-5-4-8-21-14)17-16(20)12-6-7-15(19)18(3)10-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide?
1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 95295495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).