1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one

C21H20N4O — CID 19781657

IUPAC1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccc(N2C(=O)N(Cc3ccncc3)Cc3cccnc32)c(C)c1
InChIInChI=1S/C21H20N4O/c1-15-5-6-19(16(2)12-15)25-20-18(4-3-9-23-20)14-24(21(25)26)13-17-7-10-22-11-8-17/h3-12H,13-14H2,1-2H3
InChIKeyGIHSZFMURMVJBB-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.37
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one

1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 19781657) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID19781657
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccc(N2C(=O)N(Cc3ccncc3)Cc3cccnc32)c(C)c1
InChIInChI=1S/C21H20N4O/c1-15-5-6-19(16(2)12-15)25-20-18(4-3-9-23-20)14-24(21(25)26)13-17-7-10-22-11-8-17/h3-12H,13-14H2,1-2H3
InChIKeyGIHSZFMURMVJBB-UHFFFAOYSA-N
XLogP4.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 19781657) is 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one is Cc1ccc(N2C(=O)N(Cc3ccncc3)Cc3cccnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GIHSZFMURMVJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-5-6-19(16(2)12-15)25-20-18(4-3-9-23-20)14-24(21(25)26)13-17-7-10-22-11-8-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 19781657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).