1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

C18H19F3N4O — CID 70887095

IUPAC1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)13-4-7-14(8-5-13)25-17(26)23-11-9-15-6-3-12-2-1-10-22-16(12)24-15/h3-8H,1-2,9-11H2,(H,22,24)(H2,23,25,26)
InChIKeyRDNIJWQUASKSAM-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.82
Rot. Bonds4

About 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 70887095) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID70887095
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)13-4-7-14(8-5-13)25-17(26)23-11-9-15-6-3-12-2-1-10-22-16(12)24-15/h3-8H,1-2,9-11H2,(H,22,24)(H2,23,25,26)
InChIKeyRDNIJWQUASKSAM-UHFFFAOYSA-N
XLogP3.82
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 70887095) is 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is RDNIJWQUASKSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)13-4-7-14(8-5-13)25-17(26)23-11-9-15-6-3-12-2-1-10-22-16(12)24-15/h3-8H,1-2,9-11H2,(H,22,24)(H2,23,25,26).
What are the key properties of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 364.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 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-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 70887095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).