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

C17H18F3N5O — CID 70886969

IUPAC1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)14-6-5-13(10-23-14)25-16(26)22-9-7-12-4-3-11-2-1-8-21-15(11)24-12/h3-6,10H,1-2,7-9H2,(H,21,24)(H2,22,25,26)
InChIKeyFBNSMUWMPZHNHA-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.22
Rot. Bonds4

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

1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 70886969) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID70886969
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)14-6-5-13(10-23-14)25-16(26)22-9-7-12-4-3-11-2-1-8-21-15(11)24-12/h3-6,10H,1-2,7-9H2,(H,21,24)(H2,22,25,26)
InChIKeyFBNSMUWMPZHNHA-UHFFFAOYSA-N
XLogP3.22
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[6-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea (CID 70886969) is 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea is O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is FBNSMUWMPZHNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-17(19,20)14-6-5-13(10-23-14)25-16(26)22-9-7-12-4-3-11-2-1-8-21-15(11)24-12/h3-6,10H,1-2,7-9H2,(H,21,24)(H2,22,25,26).
What are the key properties of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 365.36 g/mol, XLogP of 3.22, 4 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-[6-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 70886969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).