[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate

C16H12F3N3O3 — CID 175464851

IUPAC[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate
SMILESNC(=O)OC1Cc2ncccc2N(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H12F3N3O3/c17-16(18,19)9-3-5-10(6-4-9)22-12-2-1-7-21-11(12)8-13(14(22)23)25-15(20)24/h1-7,13H,8H2,(H2,20,24)
InChIKeyQPCYLOCWWOSRIG-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.79
Rot. Bonds2

About [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate

[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate (PubChem CID 175464851) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate.

Molecular Properties

Compound Name[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate
PubChem CID175464851
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate
SMILESNC(=O)OC1Cc2ncccc2N(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H12F3N3O3/c17-16(18,19)9-3-5-10(6-4-9)22-12-2-1-7-21-11(12)8-13(14(22)23)25-15(20)24/h1-7,13H,8H2,(H2,20,24)
InChIKeyQPCYLOCWWOSRIG-UHFFFAOYSA-N
XLogP2.79
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate
CID 175464902
[2-oxo-1-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1,5-naphthyridin-3-yl]carbamic acid
CID 87837383
2-[(3S)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
CID 51469376
[(4S,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl] N-methylcarbamate
CID 172543309
(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide
CID 11534288
(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride
CID 87743095
N-[(4S,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl]acetamide
CID 172543149
cyclopropyl-[8-[4-(trifluoromethyl)phenyl]-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-12-yl]methanone
CID 172543236
1-methyl-3-[(4R,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl]urea
CID 172543072
4-[4-(trifluoromethyl)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 68545814
2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dione
CID 12904385

Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate?
The IUPAC name of [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate (CID 175464851) is [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate.
What is the SMILES notation for [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate?
The canonical SMILES for [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate is NC(=O)OC1Cc2ncccc2N(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate?
The InChIKey is QPCYLOCWWOSRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c17-16(18,19)9-3-5-10(6-4-9)22-12-2-1-7-21-11(12)8-13(14(22)23)25-15(20)24/h1-7,13H,8H2,(H2,20,24).
What are the key properties of [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate?
[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate has a molecular weight of 351.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate is sourced from PubChem (CID 175464851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).