N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C24H23F6N3O4 — CID 164785917

IUPACN-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](C(=O)N2CCc3nc(C(F)(F)F)ccc3C2)OC1
InChIInChI=1S/C24H23F6N3O4/c25-23(26,27)15-2-5-17(6-3-15)36-13-21(34)31-16-4-7-19(37-12-16)22(35)33-10-9-18-14(11-33)1-8-20(32-18)24(28,29)30/h1-3,5-6,8,16,19H,4,7,9-13H2,(H,31,34)/t16-,19+/m0/s1
InChIKeyAQYCCJYZSBKIPT-QFBILLFUSA-N
MW531.45 g/mol
LogP3.75
Rot. Bonds5

About N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 164785917) has the molecular formula C24H23F6N3O4 and a molecular weight of 531.45 g/mol. Its IUPAC name is N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID164785917
Molecular FormulaC24H23F6N3O4
Molecular Weight531.45 g/mol
Exact Mass531.16
IUPAC NameN-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](C(=O)N2CCc3nc(C(F)(F)F)ccc3C2)OC1
InChIInChI=1S/C24H23F6N3O4/c25-23(26,27)15-2-5-17(6-3-15)36-13-21(34)31-16-4-7-19(37-12-16)22(35)33-10-9-18-14(11-33)1-8-20(32-18)24(28,29)30/h1-3,5-6,8,16,19H,4,7,9-13H2,(H,31,34)/t16-,19+/m0/s1
InChIKeyAQYCCJYZSBKIPT-QFBILLFUSA-N
XLogP3.75
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide with MolForge

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Related Compounds

(2R,5S)-5-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]-N-[6-(trifluoromethyl)quinolin-2-yl]oxane-2-carboxamide
CID 164785903
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[3-(trifluoromethoxy)pyrrolidine-1-carbonyl]oxan-3-yl]acetamide
CID 164785900
N-[(3S,6R)-6-[(1S)-6-chloro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]oxan-3-yl]-2-(4-chlorophenoxy)acetamide
CID 164785942
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 147640243
N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 165089466
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71939910
N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347
[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
CID 143046575
[3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
CID 142976977
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 164785917) is N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](C(=O)N2CCc3nc(C(F)(F)F)ccc3C2)OC1.
What is the InChIKey of N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is AQYCCJYZSBKIPT-QFBILLFUSA-N. The full InChI is InChI=1S/C24H23F6N3O4/c25-23(26,27)15-2-5-17(6-3-15)36-13-21(34)31-16-4-7-19(37-12-16)22(35)33-10-9-18-14(11-33)1-8-20(32-18)24(28,29)30/h1-3,5-6,8,16,19H,4,7,9-13H2,(H,31,34)/t16-,19+/m0/s1.
What are the key properties of N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 531.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 164785917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).