2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C25H26F3N3O4 — CID 176996376

IUPAC2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC(C)Oc1ccccc1[C@@H]1C[C@](C)(C(F)(F)F)OC[C@H]1c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C25H26F3N3O4/c1-13(2)35-20-7-5-4-6-14(20)15-11-24(3,25(26,27)28)34-12-16(15)18-10-19(32)21-17(31-18)8-9-30-22(21)23(29)33/h4-10,13,15-16H,11-12H2,1-3H3,(H2,29,33)(H,31,32)/t15-,16+,24+/m0/s1
InChIKeyCWBYJOYMTFFEIM-VMPBMTGNSA-N
MW489.49 g/mol
LogP4.42
Rot. Bonds5

About 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 176996376) has the molecular formula C25H26F3N3O4 and a molecular weight of 489.49 g/mol. Its IUPAC name is 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID176996376
Molecular FormulaC25H26F3N3O4
Molecular Weight489.49 g/mol
Exact Mass489.19
IUPAC Name2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC(C)Oc1ccccc1[C@@H]1C[C@](C)(C(F)(F)F)OC[C@H]1c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C25H26F3N3O4/c1-13(2)35-20-7-5-4-6-14(20)15-11-24(3,25(26,27)28)34-12-16(15)18-10-19(32)21-17(31-18)8-9-30-22(21)23(29)33/h4-10,13,15-16H,11-12H2,1-3H3,(H2,29,33)(H,31,32)/t15-,16+,24+/m0/s1
InChIKeyCWBYJOYMTFFEIM-VMPBMTGNSA-N
XLogP4.42
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-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-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 176996390
2-[(3R,4R,6R)-4-(4-fluoro-3-methoxyphenyl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 176996364
2-[(3S,4R)-2-(3,4-difluoro-2-methoxyphenyl)-3,4-dimethyl-4-(trifluoromethyl)cyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085569
2-[(1S,2S,4S)-2-(2-ethyl-3,4-difluorophenyl)-4-methyl-4-(trifluoromethyl)cyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085513
2-[(1R,2R,3S,4R)-2-(3-chloro-4-fluorophenyl)-3,4-dimethyl-4-(trifluoromethyl)cyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085571
2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192684
2-[(1R,2R,5R)-2-(3,4-difluoro-2-methoxyphenyl)-5-methyl-5-(trifluoromethyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085739
2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193358
2-[2-(3,4-difluoro-2-methoxyphenyl)-4,4-dimethylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085714
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,2R,4R)-2-(3,4-difluoro-2-methylphenyl)-4-fluoro-4-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193328

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 176996376) is 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is CC(C)Oc1ccccc1[C@@H]1C[C@](C)(C(F)(F)F)OC[C@H]1c1cc(=O)c2c(C(N)=O)nccc2[nH]1.
What is the InChIKey of 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is CWBYJOYMTFFEIM-VMPBMTGNSA-N. The full InChI is InChI=1S/C25H26F3N3O4/c1-13(2)35-20-7-5-4-6-14(20)15-11-24(3,25(26,27)28)34-12-16(15)18-10-19(32)21-17(31-18)8-9-30-22(21)23(29)33/h4-10,13,15-16H,11-12H2,1-3H3,(H2,29,33)(H,31,32)/t15-,16+,24+/m0/s1.
What are the key properties of 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 489.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R,6R)-6-methyl-4-(2-propan-2-yloxyphenyl)-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 176996376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).