2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C23H29F2N3O2 — CID 178021191

IUPAC2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC[C@@H]1CC(C2CCCCC2)C(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)CC1(F)F
InChIInChI=1S/C23H29F2N3O2/c1-2-14-10-15(13-6-4-3-5-7-13)16(12-23(14,24)25)18-11-19(29)20-17(28-18)8-9-27-21(20)22(26)30/h8-9,11,13-16H,2-7,10,12H2,1H3,(H2,26,30)(H,28,29)/t14-,15?,16?/m1/s1
InChIKeyHTKHWQQNAHBANM-QQFBHYJXSA-N
MW417.50 g/mol
LogP4.76
Rot. Bonds4

About 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 178021191) has the molecular formula C23H29F2N3O2 and a molecular weight of 417.50 g/mol. Its IUPAC name is 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID178021191
Molecular FormulaC23H29F2N3O2
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC Name2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC[C@@H]1CC(C2CCCCC2)C(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)CC1(F)F
InChIInChI=1S/C23H29F2N3O2/c1-2-14-10-15(13-6-4-3-5-7-13)16(12-23(14,24)25)18-11-19(29)20-17(28-18)8-9-27-21(20)22(26)30/h8-9,11,13-16H,2-7,10,12H2,1H3,(H2,26,30)(H,28,29)/t14-,15?,16?/m1/s1
InChIKeyHTKHWQQNAHBANM-QQFBHYJXSA-N
XLogP4.76
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-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

2-[(1R)-2-(4,4-difluorocyclohexyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021093
2-[(1R)-2-(4,4-difluorocycloheptyl)-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021214
2-[2-[(1S)-4,4-difluorocycloheptyl]-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021533
2-[(1R,2S)-2-[(1R)-4,4-difluorocycloheptyl]cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021670
2-[2-(4,4-difluorocycloheptyl)-5,5-dimethylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021429
2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021483
2-[4-(4,4-difluorocyclohexyl)-3-bicyclo[4.1.0]heptanyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021669
2-[(1R,2S)-2-cycloheptyl-5,5-difluorocyclohexyl]-N-methyl-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021425
1,2-difluoro-3-methylbenzene;2-[(1S,4R)-4-ethyl-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192813
2-[(2S)-5,5-difluoro-2-[4-(trifluoromethyl)cyclohexyl]cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021151
2-[2-[(3aS,6aR)-5,5-difluoro-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pentalen-2-yl]-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021619
2-[(1R,2S,4S)-2-(4,4-difluorocyclohexyl)-4-ethylcyclohexyl]-N-methyl-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021527

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 178021191) is 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is CC[C@@H]1CC(C2CCCCC2)C(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)CC1(F)F.
What is the InChIKey of 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is HTKHWQQNAHBANM-QQFBHYJXSA-N. The full InChI is InChI=1S/C23H29F2N3O2/c1-2-14-10-15(13-6-4-3-5-7-13)16(12-23(14,24)25)18-11-19(29)20-17(28-18)8-9-27-21(20)22(26)30/h8-9,11,13-16H,2-7,10,12H2,1H3,(H2,26,30)(H,28,29)/t14-,15?,16?/m1/s1.
What are the key properties of 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 417.50 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 178021191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).