[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea

C18H17F3N4O2 — CID 178034557

IUPAC[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](NC(N)=O)Cc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C18H17F3N4O2/c1-10(11-5-3-2-4-6-11)25-14-8-15(18(19,20)21)23-9-12(14)7-13(16(25)26)24-17(22)27/h2-6,8-10,13H,7H2,1H3,(H3,22,24,27)/t10-,13+/m0/s1
InChIKeyXUXNSRULVPOEKV-GXFFZTMASA-N
MW378.35 g/mol
LogP2.79
Rot. Bonds3

About [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea

[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea (PubChem CID 178034557) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea
PubChem CID178034557
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](NC(N)=O)Cc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C18H17F3N4O2/c1-10(11-5-3-2-4-6-11)25-14-8-15(18(19,20)21)23-9-12(14)7-13(16(25)26)24-17(22)27/h2-6,8-10,13H,7H2,1H3,(H3,22,24,27)/t10-,13+/m0/s1
InChIKeyXUXNSRULVPOEKV-GXFFZTMASA-N
XLogP2.79
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea?
The IUPAC name of [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea (CID 178034557) is [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea.
What is the SMILES notation for [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea?
The canonical SMILES for [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea is C[C@@H](c1ccccc1)N1C(=O)[C@H](NC(N)=O)Cc2cnc(C(F)(F)F)cc21.
What is the InChIKey of [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea?
The InChIKey is XUXNSRULVPOEKV-GXFFZTMASA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-10(11-5-3-2-4-6-11)25-14-8-15(18(19,20)21)23-9-12(14)7-13(16(25)26)24-17(22)27/h2-6,8-10,13H,7H2,1H3,(H3,22,24,27)/t10-,13+/m0/s1.
What are the key properties of [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea?
[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea has a molecular weight of 378.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea is sourced from PubChem (CID 178034557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).