1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide

C19H27N3O3 — CID 75280150

IUPAC1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide
SMILESCC(C)C1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC21
InChIInChI=1S/C19H27N3O3/c1-11(2)15-10-17(23)21-16-9-12(6-7-13(15)16)20-18(24)14-5-4-8-22(3)19(14)25/h4-5,8,11-13,15-16H,6-7,9-10H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyFSDZPZVFUYGMGM-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.44
Rot. Bonds3

About 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide

1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide (PubChem CID 75280150) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide
PubChem CID75280150
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide
SMILESCC(C)C1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC21
InChIInChI=1S/C19H27N3O3/c1-11(2)15-10-17(23)21-16-9-12(6-7-13(15)16)20-18(24)14-5-4-8-22(3)19(14)25/h4-5,8,11-13,15-16H,6-7,9-10H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyFSDZPZVFUYGMGM-UHFFFAOYSA-N
XLogP1.44
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide (CID 75280150) is 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide is CC(C)C1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC21.
What is the InChIKey of 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide?
The InChIKey is FSDZPZVFUYGMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-11(2)15-10-17(23)21-16-9-12(6-7-13(15)16)20-18(24)14-5-4-8-22(3)19(14)25/h4-5,8,11-13,15-16H,6-7,9-10H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide?
1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(2-oxo-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75280150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).