6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one

C19H19N3O — CID 141132974

IUPAC6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Cc2ccccc2)cc2cncnc2n1C1CCCC1
InChIInChI=1S/C19H19N3O/c23-19-15(10-14-6-2-1-3-7-14)11-16-12-20-13-21-18(16)22(19)17-8-4-5-9-17/h1-3,6-7,11-13,17H,4-5,8-10H2
InChIKeyCUMLXDFFIQGJIL-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.50
Rot. Bonds3

About 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one

6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 141132974) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
PubChem CID141132974
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Cc2ccccc2)cc2cncnc2n1C1CCCC1
InChIInChI=1S/C19H19N3O/c23-19-15(10-14-6-2-1-3-7-14)11-16-12-20-13-21-18(16)22(19)17-8-4-5-9-17/h1-3,6-7,11-13,17H,4-5,8-10H2
InChIKeyCUMLXDFFIQGJIL-UHFFFAOYSA-N
XLogP3.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one (CID 141132974) is 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one is O=c1c(Cc2ccccc2)cc2cncnc2n1C1CCCC1.
What is the InChIKey of 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CUMLXDFFIQGJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19-15(10-14-6-2-1-3-7-14)11-16-12-20-13-21-18(16)22(19)17-8-4-5-9-17/h1-3,6-7,11-13,17H,4-5,8-10H2.
What are the key properties of 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 305.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141132974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).