1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C18H20N6O4 — CID 55583560

IUPAC1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1nc(C2(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CCCC2)no1
InChIInChI=1S/C18H20N6O4/c1-10-19-16(22-28-10)18(8-4-5-9-18)21-14(25)12-7-6-11-13(20-12)23(2)17(27)24(3)15(11)26/h6-7H,4-5,8-9H2,1-3H3,(H,21,25)
InChIKeyNSCOOBWKEFVBFL-UHFFFAOYSA-N
MW384.40 g/mol
LogP0.52
Rot. Bonds3

About 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55583560) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55583560
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1nc(C2(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CCCC2)no1
InChIInChI=1S/C18H20N6O4/c1-10-19-16(22-28-10)18(8-4-5-9-18)21-14(25)12-7-6-11-13(20-12)23(2)17(27)24(3)15(11)26/h6-7H,4-5,8-9H2,1-3H3,(H,21,25)
InChIKeyNSCOOBWKEFVBFL-UHFFFAOYSA-N
XLogP0.52
TPSA124.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 55583560) is 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1nc(C2(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CCCC2)no1.
What is the InChIKey of 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is NSCOOBWKEFVBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-10-19-16(22-28-10)18(8-4-5-9-18)21-14(25)12-7-6-11-13(20-12)23(2)17(27)24(3)15(11)26/h6-7H,4-5,8-9H2,1-3H3,(H,21,25).
What are the key properties of 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55583560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).