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

C21H22N4O — CID 70887131

IUPAC1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc2ccccc12
InChIInChI=1S/C21H22N4O/c26-21(25-19-9-3-6-15-5-1-2-8-18(15)19)23-14-12-17-11-10-16-7-4-13-22-20(16)24-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H2,23,25,26)
InChIKeyJDDBVGPOCCSOTE-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.96
Rot. Bonds4

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

1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 70887131) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
PubChem CID70887131
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc2ccccc12
InChIInChI=1S/C21H22N4O/c26-21(25-19-9-3-6-15-5-1-2-8-18(15)19)23-14-12-17-11-10-16-7-4-13-22-20(16)24-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H2,23,25,26)
InChIKeyJDDBVGPOCCSOTE-UHFFFAOYSA-N
XLogP3.96
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 70887131) is 1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is O=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The InChIKey is JDDBVGPOCCSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(25-19-9-3-6-15-5-1-2-8-18(15)19)23-14-12-17-11-10-16-7-4-13-22-20(16)24-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H2,23,25,26).
What are the key properties of 1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 346.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 70887131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).