6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C20H29N3O4 — CID 156606035

IUPAC6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCOCCCN1C(=O)CCC2CN(C(=O)c3c(C)[nH]c(C)cc3=O)CCC21
InChIInChI=1S/C20H29N3O4/c1-13-11-17(24)19(14(2)21-13)20(26)22-9-7-16-15(12-22)5-6-18(25)23(16)8-4-10-27-3/h11,15-16H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyMLWPWLQUIDARSN-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.48
Rot. Bonds5

About 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 156606035) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID156606035
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCOCCCN1C(=O)CCC2CN(C(=O)c3c(C)[nH]c(C)cc3=O)CCC21
InChIInChI=1S/C20H29N3O4/c1-13-11-17(24)19(14(2)21-13)20(26)22-9-7-16-15(12-22)5-6-18(25)23(16)8-4-10-27-3/h11,15-16H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyMLWPWLQUIDARSN-UHFFFAOYSA-N
XLogP1.48
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

(4aS,8aR)-1-(3-methoxypropyl)-6-(2-oxo-1H-pyridine-3-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56915267
(4aS,8aR)-N-cyclohexyl-1-(3-methoxypropyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carboxamide
CID 56904063
(4aS,8aR)-1-(3-methoxypropyl)-6-(3-methylbut-2-enoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56895605
(4aS,8aR)-6-(3,5-difluoropyridine-2-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70759091
(4aR,8aS)-1-(2-methoxyethyl)-6-(4-phenylbenzoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 118755495
(4aS,8aR)-6-[3-(furan-2-yl)propanoyl]-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56912537
(4aS,8aR)-1-(4-hydroxybutyl)-6-(5-methylthiophene-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56916742
(4aS,8aR)-1-butyl-6-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56909236
(4aR,8aS)-1-(3-hydroxypropyl)-6-(2-methoxypyridine-4-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164632194
(4aR,8aS)-1-[3-(dimethylamino)propyl]-6-[4-(4-methylphenyl)benzoyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56852465
(4aS,8aR)-6-(2H-benzotriazole-5-carbonyl)-1-butyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56885242
(4aS,8aR)-6-(2,3-dihydro-1H-inden-2-yl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56898723

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 156606035) is 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is COCCCN1C(=O)CCC2CN(C(=O)c3c(C)[nH]c(C)cc3=O)CCC21.
What is the InChIKey of 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is MLWPWLQUIDARSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-13-11-17(24)19(14(2)21-13)20(26)22-9-7-16-15(12-22)5-6-18(25)23(16)8-4-10-27-3/h11,15-16H,4-10,12H2,1-3H3,(H,21,24).
What are the key properties of 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 375.47 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-1-(3-methoxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 156606035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).