5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C21H18N4O2 — CID 17250755

IUPAC5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c2c(=O)n(Cc3cccnc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C21H18N4O2/c1-14-11-15(2)23-19-18(14)20(26)24(13-16-7-6-10-22-12-16)21(27)25(19)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3
InChIKeyUTOBESHQEBSFEA-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.61
Rot. Bonds3

About 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17250755) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17250755
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c2c(=O)n(Cc3cccnc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C21H18N4O2/c1-14-11-15(2)23-19-18(14)20(26)24(13-16-7-6-10-22-12-16)21(27)25(19)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3
InChIKeyUTOBESHQEBSFEA-UHFFFAOYSA-N
XLogP2.61
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide
CID 17250805
3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 17251390
3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 17250495
1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 19781682
4,11,13-trimethyl-5-(pyridin-3-ylmethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 25021147
N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 17251369
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 17250529
3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 17250632
3-[(3-cyanophenyl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 53096967
N-(4-bromo-2-fluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17251346
7-methyl-3-[(4-methylphenyl)methyl]-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251423

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 17250755) is 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C)c2c(=O)n(Cc3cccnc3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UTOBESHQEBSFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-11-15(2)23-19-18(14)20(26)24(13-16-7-6-10-22-12-16)21(27)25(19)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3.
What are the key properties of 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17250755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).