1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

C18H24N2O2S — CID 50976341

IUPAC1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N(Cc1ccsc1)CC(C)C
InChIInChI=1S/C18H24N2O2S/c1-12(2)9-20(10-15-6-7-23-11-15)18(22)16-13(3)8-14(4)19(5)17(16)21/h6-8,11-12H,9-10H2,1-5H3
InChIKeyWPSQBXYELSGPRC-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.36
Rot. Bonds5

About 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 50976341) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
PubChem CID50976341
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N(Cc1ccsc1)CC(C)C
InChIInChI=1S/C18H24N2O2S/c1-12(2)9-20(10-15-6-7-23-11-15)18(22)16-13(3)8-14(4)19(5)17(16)21/h6-8,11-12H,9-10H2,1-5H3
InChIKeyWPSQBXYELSGPRC-UHFFFAOYSA-N
XLogP3.36
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (CID 50976341) is 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)N(Cc1ccsc1)CC(C)C.
What is the InChIKey of 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is WPSQBXYELSGPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12(2)9-20(10-15-6-7-23-11-15)18(22)16-13(3)8-14(4)19(5)17(16)21/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-N-(2-methylpropyl)-2-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 50976341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).