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

C19H27N3O3 — CID 75279162

IUPACN-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCC1C(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC2C1C
InChIInChI=1S/C19H27N3O3/c1-4-13-11(2)14-8-7-12(10-16(14)21-17(13)23)20-18(24)15-6-5-9-22(3)19(15)25/h5-6,9,11-14,16H,4,7-8,10H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyNZQUXFMNFGMLDS-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.44
Rot. Bonds3

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

N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 75279162) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID75279162
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCC1C(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC2C1C
InChIInChI=1S/C19H27N3O3/c1-4-13-11(2)14-8-7-12(10-16(14)21-17(13)23)20-18(24)15-6-5-9-22(3)19(15)25/h5-6,9,11-14,16H,4,7-8,10H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyNZQUXFMNFGMLDS-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 N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide (CID 75279162) is N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide is CCC1C(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC2C1C.
What is the InChIKey of N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is NZQUXFMNFGMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-13-11(2)14-8-7-12(10-16(14)21-17(13)23)20-18(24)15-6-5-9-22(3)19(15)25/h5-6,9,11-14,16H,4,7-8,10H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-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 N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 75279162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).