6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one

C19H15N5O2 — CID 134810910

IUPAC6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ncccc1-c1ccc2ncn(Cc3ccccn3)c(=O)c2n1
InChIInChI=1S/C19H15N5O2/c1-26-18-14(6-4-10-21-18)15-7-8-16-17(23-15)19(25)24(12-22-16)11-13-5-2-3-9-20-13/h2-10,12H,11H2,1H3
InChIKeyXDODFUQUPUSCMW-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.31
Rot. Bonds4

About 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one

6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810910) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810910
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ncccc1-c1ccc2ncn(Cc3ccccn3)c(=O)c2n1
InChIInChI=1S/C19H15N5O2/c1-26-18-14(6-4-10-21-18)15-7-8-16-17(23-15)19(25)24(12-22-16)11-13-5-2-3-9-20-13/h2-10,12H,11H2,1H3
InChIKeyXDODFUQUPUSCMW-UHFFFAOYSA-N
XLogP2.31
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810910) is 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is COc1ncccc1-c1ccc2ncn(Cc3ccccn3)c(=O)c2n1.
What is the InChIKey of 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is XDODFUQUPUSCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-18-14(6-4-10-21-18)15-7-8-16-17(23-15)19(25)24(12-22-16)11-13-5-2-3-9-20-13/h2-10,12H,11H2,1H3.
What are the key properties of 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 345.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).