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

C20H23N5O — CID 46189876

IUPAC1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCn1ccc2c(NC(=O)NCCc3ccc4c(n3)NCCC4)cccc21
InChIInChI=1S/C20H23N5O/c1-25-13-10-16-17(5-2-6-18(16)25)24-20(26)22-12-9-15-8-7-14-4-3-11-21-19(14)23-15/h2,5-8,10,13H,3-4,9,11-12H2,1H3,(H,21,23)(H2,22,24,26)
InChIKeyZCUZXRLIHICAIA-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.30
Rot. Bonds4

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

1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 46189876) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
PubChem CID46189876
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCn1ccc2c(NC(=O)NCCc3ccc4c(n3)NCCC4)cccc21
InChIInChI=1S/C20H23N5O/c1-25-13-10-16-17(5-2-6-18(16)25)24-20(26)22-12-9-15-8-7-14-4-3-11-21-19(14)23-15/h2,5-8,10,13H,3-4,9,11-12H2,1H3,(H,21,23)(H2,22,24,26)
InChIKeyZCUZXRLIHICAIA-UHFFFAOYSA-N
XLogP3.30
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The IUPAC name of 1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 46189876) is 1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is Cn1ccc2c(NC(=O)NCCc3ccc4c(n3)NCCC4)cccc21.
What is the InChIKey of 1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The InChIKey is ZCUZXRLIHICAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-25-13-10-16-17(5-2-6-18(16)25)24-20(26)22-12-9-15-8-7-14-4-3-11-21-19(14)23-15/h2,5-8,10,13H,3-4,9,11-12H2,1H3,(H,21,23)(H2,22,24,26).
What are the key properties of 1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 349.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 46189876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).