N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide

C15H14N4O3S — CID 16841396

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide
SMILESCn1c(=O)c2c(NC(=O)Cc3cccs3)ccnc2n(C)c1=O
InChIInChI=1S/C15H14N4O3S/c1-18-13-12(14(21)19(2)15(18)22)10(5-6-16-13)17-11(20)8-9-4-3-7-23-9/h3-7H,8H2,1-2H3,(H,16,17,20)
InChIKeyKRZJWZKNSCAKGI-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.87
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 16841396) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide
PubChem CID16841396
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide
SMILESCn1c(=O)c2c(NC(=O)Cc3cccs3)ccnc2n(C)c1=O
InChIInChI=1S/C15H14N4O3S/c1-18-13-12(14(21)19(2)15(18)22)10(5-6-16-13)17-11(20)8-9-4-3-7-23-9/h3-7H,8H2,1-2H3,(H,16,17,20)
InChIKeyKRZJWZKNSCAKGI-UHFFFAOYSA-N
XLogP0.87
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841389
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
N-(1-methylimidazol-2-yl)-2-thiophen-2-ylacetamide
CID 110472554
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
CID 16841327
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide
CID 110713295
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide
CID 50792075
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 16841429
2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide
CID 16841348
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide
CID 16841424
N-(3-hydroxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 110462769

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide (CID 16841396) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide is Cn1c(=O)c2c(NC(=O)Cc3cccs3)ccnc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is KRZJWZKNSCAKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-18-13-12(14(21)19(2)15(18)22)10(5-6-16-13)17-11(20)8-9-4-3-7-23-9/h3-7H,8H2,1-2H3,(H,16,17,20).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 330.37 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16841396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).