6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide

C17H20N2O2S — CID 138026423

IUPAC6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide
SMILESCC(Cc1ccsc1)N(C)C(=O)c1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H20N2O2S/c1-11(9-12-7-8-22-10-12)19(2)17(21)14-5-6-15(13-3-4-13)18-16(14)20/h5-8,10-11,13H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyHFYPUSWYVHKFNO-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.02
Rot. Bonds5

About 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide

6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide (PubChem CID 138026423) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide
PubChem CID138026423
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide
SMILESCC(Cc1ccsc1)N(C)C(=O)c1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H20N2O2S/c1-11(9-12-7-8-22-10-12)19(2)17(21)14-5-6-15(13-3-4-13)18-16(14)20/h5-8,10-11,13H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyHFYPUSWYVHKFNO-UHFFFAOYSA-N
XLogP3.02
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide (CID 138026423) is 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide is CC(Cc1ccsc1)N(C)C(=O)c1ccc(C2CC2)[nH]c1=O.
What is the InChIKey of 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide?
The InChIKey is HFYPUSWYVHKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11(9-12-7-8-22-10-12)19(2)17(21)14-5-6-15(13-3-4-13)18-16(14)20/h5-8,10-11,13H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide?
6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138026423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).