7-naphthalen-1-ylpyrido[4,3-d]pyrimidine

C17H11N3 — CID 168908169

IUPAC7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
SMILESc1ccc2c(-c3cc4ncncc4cn3)cccc2c1
InChIInChI=1S/C17H11N3/c1-2-6-14-12(4-1)5-3-7-15(14)17-8-16-13(10-19-17)9-18-11-20-16/h1-11H
InChIKeyKYIPJKYNYVKERD-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.85
Rot. Bonds1

About 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine

7-naphthalen-1-ylpyrido[4,3-d]pyrimidine (PubChem CID 168908169) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
PubChem CID168908169
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
SMILESc1ccc2c(-c3cc4ncncc4cn3)cccc2c1
InChIInChI=1S/C17H11N3/c1-2-6-14-12(4-1)5-3-7-15(14)17-8-16-13(10-19-17)9-18-11-20-16/h1-11H
InChIKeyKYIPJKYNYVKERD-UHFFFAOYSA-N
XLogP3.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine?
The IUPAC name of 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine (CID 168908169) is 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine is c1ccc2c(-c3cc4ncncc4cn3)cccc2c1.
What is the InChIKey of 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine?
The InChIKey is KYIPJKYNYVKERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-2-6-14-12(4-1)5-3-7-15(14)17-8-16-13(10-19-17)9-18-11-20-16/h1-11H.
What are the key properties of 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine?
7-naphthalen-1-ylpyrido[4,3-d]pyrimidine has a molecular weight of 257.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-ylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 168908169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).