4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide

C17H18F3N3O2 — CID 177193045

IUPAC4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide
SMILESNC(=O)c1nccc2[nH]c(C3CCCC(CC(F)(F)F)C3)cc(=O)c12
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)8-9-2-1-3-10(6-9)12-7-13(24)14-11(23-12)4-5-22-15(14)16(21)25/h4-5,7,9-10H,1-3,6,8H2,(H2,21,25)(H,23,24)
InChIKeyRDXRXAKLVDUWOB-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.25
Rot. Bonds3

About 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide

4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 177193045) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide
PubChem CID177193045
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide
SMILESNC(=O)c1nccc2[nH]c(C3CCCC(CC(F)(F)F)C3)cc(=O)c12
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)8-9-2-1-3-10(6-9)12-7-13(24)14-11(23-12)4-5-22-15(14)16(21)25/h4-5,7,9-10H,1-3,6,8H2,(H2,21,25)(H,23,24)
InChIKeyRDXRXAKLVDUWOB-UHFFFAOYSA-N
XLogP3.25
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192269
2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192684
2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193358
2-[(1R)-2-(4,4-difluorocyclohexyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021093
2-[(1S)-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;2,3-difluorophenol
CID 177193245
2-[(2S)-5,5-difluoro-2-[4-(trifluoromethyl)cyclohexyl]cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021151
2-[4-(4,4-difluorocyclohexyl)-3-bicyclo[4.1.0]heptanyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021669
1-chloro-2,3-difluorobenzene;2-[(1S)-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193228
2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085740
2-[(1R,2S)-2-[(1R)-4,4-difluorocycloheptyl]cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021670
2-[(5S)-2-(3,4-difluoro-2-methoxyphenyl)-5-(trifluoromethyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193271
2-[2-[(3,3-difluorocyclobutyl)methyl]-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021263

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide (CID 177193045) is 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide is NC(=O)c1nccc2[nH]c(C3CCCC(CC(F)(F)F)C3)cc(=O)c12.
What is the InChIKey of 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is RDXRXAKLVDUWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)8-9-2-1-3-10(6-9)12-7-13(24)14-11(23-12)4-5-22-15(14)16(21)25/h4-5,7,9-10H,1-3,6,8H2,(H2,21,25)(H,23,24).
What are the key properties of 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide?
4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 177193045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).