1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

C24H24N4O3 — CID 17354945

IUPAC1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1
InChIInChI=1S/C24H24N4O3/c1-14-10-12-16(13-11-14)19-18(22(29)26-17-8-6-5-7-9-17)15(2)25-21-20(19)23(30)28(4)24(31)27(21)3/h5-13,19,25H,1-4H3,(H,26,29)
InChIKeyGZMXEPKUQXPKPB-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.86
Rot. Bonds3

About 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 17354945) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID17354945
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1
InChIInChI=1S/C24H24N4O3/c1-14-10-12-16(13-11-14)19-18(22(29)26-17-8-6-5-7-9-17)15(2)25-21-20(19)23(30)28(4)24(31)27(21)3/h5-13,19,25H,1-4H3,(H,26,29)
InChIKeyGZMXEPKUQXPKPB-UHFFFAOYSA-N
XLogP2.86
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 40771924
(5R)-1,3,7-trimethyl-2,4-dioxo-N,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 40771922
methyl (5S)-1,3,7-trimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7160979
prop-2-enyl (5S)-1,3,7-trimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7172538
ethyl 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 23941344
benzyl 5-(4-methoxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 4729355
prop-2-enyl (5R)-5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7172543
prop-2-enyl (5S)-5-(4-methoxycarbonylphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 41092565
prop-2-enyl (5R)-5-(4-methoxycarbonylphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 41092564
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929
2-methylpropyl (5S)-5-(4-methoxycarbonylphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 51921767
prop-2-enyl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 4860494

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide (CID 17354945) is 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1.
What is the InChIKey of 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GZMXEPKUQXPKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-10-12-16(13-11-14)19-18(22(29)26-17-8-6-5-7-9-17)15(2)25-21-20(19)23(30)28(4)24(31)27(21)3/h5-13,19,25H,1-4H3,(H,26,29).
What are the key properties of 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 17354945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).