1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C18H18N6O4S — CID 55670259

IUPAC1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)N3CCCC3C(=O)Nc3nccs3)nc2n(C)c1=O
InChIInChI=1S/C18H18N6O4S/c1-22-13-10(15(26)23(2)18(22)28)5-6-11(20-13)16(27)24-8-3-4-12(24)14(25)21-17-19-7-9-29-17/h5-7,9,12H,3-4,8H2,1-2H3,(H,19,21,25)
InChIKeyGXIFYHQFYALHHR-UHFFFAOYSA-N
MW414.45 g/mol
LogP0.33
Rot. Bonds3

About 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 55670259) has the molecular formula C18H18N6O4S and a molecular weight of 414.45 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID55670259
Molecular FormulaC18H18N6O4S
Molecular Weight414.45 g/mol
Exact Mass414.11
IUPAC Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)N3CCCC3C(=O)Nc3nccs3)nc2n(C)c1=O
InChIInChI=1S/C18H18N6O4S/c1-22-13-10(15(26)23(2)18(22)28)5-6-11(20-13)16(27)24-8-3-4-12(24)14(25)21-17-19-7-9-29-17/h5-7,9,12H,3-4,8H2,1-2H3,(H,19,21,25)
InChIKeyGXIFYHQFYALHHR-UHFFFAOYSA-N
XLogP0.33
TPSA119.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 97251428
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60524677
1-[2-(5-methylthiophen-2-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136579036
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670365
1-[4-(2-methylpropanoylamino)benzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55669534
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772
1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 42961197
7-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55582095

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 55670259) is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is Cn1c(=O)c2ccc(C(=O)N3CCCC3C(=O)Nc3nccs3)nc2n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is GXIFYHQFYALHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4S/c1-22-13-10(15(26)23(2)18(22)28)5-6-11(20-13)16(27)24-8-3-4-12(24)14(25)21-17-19-7-9-29-17/h5-7,9,12H,3-4,8H2,1-2H3,(H,19,21,25).
What are the key properties of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55670259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).