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

C19H27N3O3 — CID 75278910

IUPAC1-methyl-2-oxo-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide
SMILESCCCC1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC12
InChIInChI=1S/C19H27N3O3/c1-3-5-12-10-17(23)21-16-11-13(7-8-14(12)16)20-18(24)15-6-4-9-22(2)19(15)25/h4,6,9,12-14,16H,3,5,7-8,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyGLNZQXLBWPPTJJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.59
Rot. Bonds4

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

1-methyl-2-oxo-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide (PubChem CID 75278910) 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-propyl-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-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide
PubChem CID75278910
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-methyl-2-oxo-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide
SMILESCCCC1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC12
InChIInChI=1S/C19H27N3O3/c1-3-5-12-10-17(23)21-16-11-13(7-8-14(12)16)20-18(24)15-6-4-9-22(2)19(15)25/h4,6,9,12-14,16H,3,5,7-8,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyGLNZQXLBWPPTJJ-UHFFFAOYSA-N
XLogP1.59
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(2-oxo-4-propyl-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-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide (CID 75278910) is 1-methyl-2-oxo-N-(2-oxo-4-propyl-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-propyl-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-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide is CCCC1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC12.
What is the InChIKey of 1-methyl-2-oxo-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide?
The InChIKey is GLNZQXLBWPPTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-5-12-10-17(23)21-16-11-13(7-8-14(12)16)20-18(24)15-6-4-9-22(2)19(15)25/h4,6,9,12-14,16H,3,5,7-8,10-11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 1-methyl-2-oxo-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide?
1-methyl-2-oxo-N-(2-oxo-4-propyl-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 1.59, 4 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-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75278910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).