1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea

C19H21F3N4O2 — CID 71590323

IUPAC1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccccc1COC(F)(F)F
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)28-12-14-4-1-2-6-16(14)26-18(27)24-11-9-15-8-7-13-5-3-10-23-17(13)25-15/h1-2,4,6-8H,3,5,9-12H2,(H,23,25)(H2,24,26,27)
InChIKeyPSANPDATNGIMLB-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.84
Rot. Bonds6

About 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea

1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea (PubChem CID 71590323) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea
PubChem CID71590323
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccccc1COC(F)(F)F
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)28-12-14-4-1-2-6-16(14)26-18(27)24-11-9-15-8-7-13-5-3-10-23-17(13)25-15/h1-2,4,6-8H,3,5,9-12H2,(H,23,25)(H2,24,26,27)
InChIKeyPSANPDATNGIMLB-UHFFFAOYSA-N
XLogP3.84
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 70887095
(4-methylphenyl)methyl (4R)-3,3-difluoro-4-[[(6-methylpyridin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 134554655
4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 71119328
1-[8,9-difluoro-6-(methylamino)-2,4-dihydro-1H-pyrano[3,4-c]isoquinolin-1-yl]-3-[3-(difluoromethyl)-4-fluoro-phenyl]-1-methyl-urea
CID 156504322
1-[2-Fluoro-6-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 46207632
1-[3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46207749
1-(4-Fluorobenzyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 46207870
3-(Trifluoromethyl)phenyl [2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 46209210
1-(2,5-Difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70886991
1-(3,4-Difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887058
1-(4-Fluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887059
1-(5-Fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887060

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea?
The IUPAC name of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea (CID 71590323) is 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea?
The canonical SMILES for 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea is O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccccc1COC(F)(F)F.
What is the InChIKey of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea?
The InChIKey is PSANPDATNGIMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)28-12-14-4-1-2-6-16(14)26-18(27)24-11-9-15-8-7-13-5-3-10-23-17(13)25-15/h1-2,4,6-8H,3,5,9-12H2,(H,23,25)(H2,24,26,27).
What are the key properties of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea?
1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea has a molecular weight of 394.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[2-(trifluoromethoxymethyl)phenyl]urea is sourced from PubChem (CID 71590323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).