1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea

C21H22N4O3 — CID 22240322

IUPAC1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea
SMILESCOc1ccccc1-c1cc2cnccc2nc1NC(=O)NC1CCCCO1
InChIInChI=1S/C21H22N4O3/c1-27-18-7-3-2-6-15(18)16-12-14-13-22-10-9-17(14)23-20(16)25-21(26)24-19-8-4-5-11-28-19/h2-3,6-7,9-10,12-13,19H,4-5,8,11H2,1H3,(H2,23,24,25,26)
InChIKeyJJNYEMHUPDSTOB-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.95
Rot. Bonds4

About 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea

1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea (PubChem CID 22240322) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea
PubChem CID22240322
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea
SMILESCOc1ccccc1-c1cc2cnccc2nc1NC(=O)NC1CCCCO1
InChIInChI=1S/C21H22N4O3/c1-27-18-7-3-2-6-15(18)16-12-14-13-22-10-9-17(14)23-20(16)25-21(26)24-19-8-4-5-11-28-19/h2-3,6-7,9-10,12-13,19H,4-5,8,11H2,1H3,(H2,23,24,25,26)
InChIKeyJJNYEMHUPDSTOB-UHFFFAOYSA-N
XLogP3.95
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea?
The IUPAC name of 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea (CID 22240322) is 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea is COc1ccccc1-c1cc2cnccc2nc1NC(=O)NC1CCCCO1.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea?
The InChIKey is JJNYEMHUPDSTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-7-3-2-6-15(18)16-12-14-13-22-10-9-17(14)23-20(16)25-21(26)24-19-8-4-5-11-28-19/h2-3,6-7,9-10,12-13,19H,4-5,8,11H2,1H3,(H2,23,24,25,26).
What are the key properties of 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea?
1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea has a molecular weight of 378.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-1,6-naphthyridin-2-yl]-3-(oxan-2-yl)urea is sourced from PubChem (CID 22240322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).