3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide

C24H26F2N4O3 — CID 178085628

IUPAC3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCOc1nc(C)ccc1C1CCC2C1CCC2(F)F.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C15H19F2NO.C9H7N3O2/c1-9-3-4-12(14(18-9)19-2)10-5-6-13-11(10)7-8-15(13,16)17;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3-4,10-11,13H,5-8H2,1-2H3;1-4H,(H2,10,14)(H,11,13)
InChIKeyZHAPIIQTUFMSQB-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.96
Rot. Bonds3

About 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide

3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 178085628) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID178085628
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Name3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCOc1nc(C)ccc1C1CCC2C1CCC2(F)F.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C15H19F2NO.C9H7N3O2/c1-9-3-4-12(14(18-9)19-2)10-5-6-13-11(10)7-8-15(13,16)17;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3-4,10-11,13H,5-8H2,1-2H3;1-4H,(H2,10,14)(H,11,13)
InChIKeyZHAPIIQTUFMSQB-UHFFFAOYSA-N
XLogP3.96
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6aS)-3-(3-chloro-4-fluoro-2-methylphenyl)-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-pentalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085724
3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193345
5-(4,4-difluorocyclohexyl)-2-methyl-3-oxabicyclo[3.1.1]hept-1-ene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021068
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193213
4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193205
2-[(2R,3R,3aS,6aR)-3-(3,4-difluoro-2,5-dimethylphenyl)-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-pentalen-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085545
4-[(3S)-3-(difluoromethyl)cyclohexyl]-1,1-difluorocyclohexane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021555
2-chloro-4-fluoro-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192635
1-cyclohexyl-3,4-difluoro-2-methoxybenzene;2-cyclopentyl-1H-1,6-naphthyridin-4-one;1,2-difluoro-3-methoxy-4-methylbenzene;ethane;2-methylpropane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192630
2-[2-(3,4-difluoro-2-methoxyphenyl)-4,4-dimethylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085714
(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192178
2-[(5S)-2-(3,4-difluoro-2-methoxyphenyl)-5-(trifluoromethyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193271

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 178085628) is 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide is COc1nc(C)ccc1C1CCC2C1CCC2(F)F.NC(=O)c1nccc2[nH]ccc(=O)c12.
What is the InChIKey of 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is ZHAPIIQTUFMSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO.C9H7N3O2/c1-9-3-4-12(14(18-9)19-2)10-5-6-13-11(10)7-8-15(13,16)17;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3-4,10-11,13H,5-8H2,1-2H3;1-4H,(H2,10,14)(H,11,13).
What are the key properties of 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 178085628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).