1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

C23H22N4O3S — CID 24677093

IUPAC1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)N(CCc3ccccc3)Cc3cccs3)cnc2n(C)c1=O
InChIInChI=1S/C23H22N4O3S/c1-25-20-19(22(29)26(2)23(25)30)13-17(14-24-20)21(28)27(15-18-9-6-12-31-18)11-10-16-7-4-3-5-8-16/h3-9,12-14H,10-11,15H2,1-2H3
InChIKeyCCJCIMVCKZSUTJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.58
Rot. Bonds6

About 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24677093) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24677093
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)N(CCc3ccccc3)Cc3cccs3)cnc2n(C)c1=O
InChIInChI=1S/C23H22N4O3S/c1-25-20-19(22(29)26(2)23(25)30)13-17(14-24-20)21(28)27(15-18-9-6-12-31-18)11-10-16-7-4-3-5-8-16/h3-9,12-14H,10-11,15H2,1-2H3
InChIKeyCCJCIMVCKZSUTJ-UHFFFAOYSA-N
XLogP2.58
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 24677093) is 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)N(CCc3ccccc3)Cc3cccs3)cnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CCJCIMVCKZSUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-25-20-19(22(29)26(2)23(25)30)13-17(14-24-20)21(28)27(15-18-9-6-12-31-18)11-10-16-7-4-3-5-8-16/h3-9,12-14H,10-11,15H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24677093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).