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

C15H21N3O2 — CID 107262049

IUPAC6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one
SMILESCN1CCCC2CN(C(=O)c3cccc(=O)[nH]3)CCC21
InChIInChI=1S/C15H21N3O2/c1-17-8-3-4-11-10-18(9-7-13(11)17)15(20)12-5-2-6-14(19)16-12/h2,5-6,11,13H,3-4,7-10H2,1H3,(H,16,19)
InChIKeyZZNHWJPYEJANSJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.93
Rot. Bonds1

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

6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one (PubChem CID 107262049) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one
PubChem CID107262049
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one
SMILESCN1CCCC2CN(C(=O)c3cccc(=O)[nH]3)CCC21
InChIInChI=1S/C15H21N3O2/c1-17-8-3-4-11-10-18(9-7-13(11)17)15(20)12-5-2-6-14(19)16-12/h2,5-6,11,13H,3-4,7-10H2,1H3,(H,16,19)
InChIKeyZZNHWJPYEJANSJ-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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one (CID 107262049) is 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one is CN1CCCC2CN(C(=O)c3cccc(=O)[nH]3)CCC21.
What is the InChIKey of 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one?
The InChIKey is ZZNHWJPYEJANSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-8-3-4-11-10-18(9-7-13(11)17)15(20)12-5-2-6-14(19)16-12/h2,5-6,11,13H,3-4,7-10H2,1H3,(H,16,19).
What are the key properties of 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one?
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-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 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 107262049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).