1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide

C16H20N2O2S — CID 75461815

IUPAC1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1ccn(C)c(=O)c1)c1cccs1
InChIInChI=1S/C16H20N2O2S/c1-11(2)9-13(14-5-4-8-21-14)17-16(20)12-6-7-18(3)15(19)10-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,20)
InChIKeyBJJUCKKHZDMHQD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.96
Rot. Bonds5

About 1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide

1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide (PubChem CID 75461815) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide
PubChem CID75461815
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1ccn(C)c(=O)c1)c1cccs1
InChIInChI=1S/C16H20N2O2S/c1-11(2)9-13(14-5-4-8-21-14)17-16(20)12-6-7-18(3)15(19)10-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,20)
InChIKeyBJJUCKKHZDMHQD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide (CID 75461815) is 1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide is CC(C)CC(NC(=O)c1ccn(C)c(=O)c1)c1cccs1.
What is the InChIKey of 1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide?
The InChIKey is BJJUCKKHZDMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)9-13(14-5-4-8-21-14)17-16(20)12-6-7-18(3)15(19)10-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,20).
What are the key properties of 1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide?
1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-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-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 75461815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).