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

C15H21N3O2 — CID 110141717

IUPAC6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@]12CCCN(C(=O)c3cccc(=O)[nH]3)[C@@H]1CCCN2
InChIInChI=1S/C15H21N3O2/c1-15-8-4-10-18(12(15)6-3-9-16-15)14(20)11-5-2-7-13(19)17-11/h2,5,7,12,16H,3-4,6,8-10H2,1H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyNXOGEOHHZWJJEB-DOMZBBRYSA-N
MW275.35 g/mol
LogP1.12
Rot. Bonds1

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

6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 110141717) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one
PubChem CID110141717
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@]12CCCN(C(=O)c3cccc(=O)[nH]3)[C@@H]1CCCN2
InChIInChI=1S/C15H21N3O2/c1-15-8-4-10-18(12(15)6-3-9-16-15)14(20)11-5-2-7-13(19)17-11/h2,5,7,12,16H,3-4,6,8-10H2,1H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyNXOGEOHHZWJJEB-DOMZBBRYSA-N
XLogP1.12
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one (CID 110141717) is 6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one is C[C@]12CCCN(C(=O)c3cccc(=O)[nH]3)[C@@H]1CCCN2.
What is the InChIKey of 6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NXOGEOHHZWJJEB-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15-8-4-10-18(12(15)6-3-9-16-15)14(20)11-5-2-7-13(19)17-11/h2,5,7,12,16H,3-4,6,8-10H2,1H3,(H,17,19)/t12-,15+/m1/s1.
What are the key properties of 6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one?
6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 110141717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).