3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one

C15H21N3O2 — CID 103386618

IUPAC3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
SMILESCN1CCCC2CN(C(=O)c3c[nH]ccc3=O)CCC21
InChIInChI=1S/C15H21N3O2/c1-17-7-2-3-11-10-18(8-5-13(11)17)15(20)12-9-16-6-4-14(12)19/h4,6,9,11,13H,2-3,5,7-8,10H2,1H3,(H,16,19)
InChIKeyPLJFUIZBLPHIOW-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.93
Rot. Bonds1

About 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one

3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one (PubChem CID 103386618) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
PubChem CID103386618
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
SMILESCN1CCCC2CN(C(=O)c3c[nH]ccc3=O)CCC21
InChIInChI=1S/C15H21N3O2/c1-17-7-2-3-11-10-18(8-5-13(11)17)15(20)12-9-16-6-4-14(12)19/h4,6,9,11,13H,2-3,5,7-8,10H2,1H3,(H,16,19)
InChIKeyPLJFUIZBLPHIOW-UHFFFAOYSA-N
XLogP0.93
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one with MolForge

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Related Compounds

2-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103785634
3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103337171
1-(4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 103336874
(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199262
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337557
(4-bromo-2-sulfanylphenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 107033003
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103336976
furan-2-yl-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81206244
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 81199724
(4-bromo-3-methylphenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 115771050
(2-bromo-6-fluorophenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 115722507

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one (CID 103386618) is 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one is CN1CCCC2CN(C(=O)c3c[nH]ccc3=O)CCC21.
What is the InChIKey of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one?
The InChIKey is PLJFUIZBLPHIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-7-2-3-11-10-18(8-5-13(11)17)15(20)12-9-16-6-4-14(12)19/h4,6,9,11,13H,2-3,5,7-8,10H2,1H3,(H,16,19).
What are the key properties of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one?
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one has a molecular weight of 275.35 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 103386618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).