1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

C21H17N3O — CID 15073525

IUPAC1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc(=O)c3cccnc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c1-15-9-11-17(12-10-15)19-23-21(25)18-8-5-13-22-20(18)24(19)14-16-6-3-2-4-7-16/h2-13H,14H2,1H3
InChIKeyHZHGHMFIIMLMBN-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.82
Rot. Bonds3

About 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 15073525) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID15073525
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc(=O)c3cccnc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c1-15-9-11-17(12-10-15)19-23-21(25)18-8-5-13-22-20(18)24(19)14-16-6-3-2-4-7-16/h2-13H,14H2,1H3
InChIKeyHZHGHMFIIMLMBN-UHFFFAOYSA-N
XLogP3.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
3-benzyl-8-methyl-2-(4-methylphenyl)quinazolin-4-one
CID 175460267
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 132576054
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole
CID 45112125
2-(ethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 13425127
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401
4-benzyl-1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22516321
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (CID 15073525) is 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is Cc1ccc(-c2nc(=O)c3cccnc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is HZHGHMFIIMLMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-15-9-11-17(12-10-15)19-23-21(25)18-8-5-13-22-20(18)24(19)14-16-6-3-2-4-7-16/h2-13H,14H2,1H3.
What are the key properties of 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 327.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 15073525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).