1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

C14H19N5O3 — CID 24606026

IUPAC1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H19N5O3/c1-16(2)13(21)10-6-5-7-19(10)11-9(8-15)12(20)18(4)14(22)17(11)3/h10H,5-7H2,1-4H3
InChIKeyIREOZOBAJVHSPM-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.99
Rot. Bonds2

About 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 24606026) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID24606026
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H19N5O3/c1-16(2)13(21)10-6-5-7-19(10)11-9(8-15)12(20)18(4)14(22)17(11)3/h10H,5-7H2,1-4H3
InChIKeyIREOZOBAJVHSPM-UHFFFAOYSA-N
XLogP-0.99
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 24606026) is 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is IREOZOBAJVHSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-16(2)13(21)10-6-5-7-19(10)11-9(8-15)12(20)18(4)14(22)17(11)3/h10H,5-7H2,1-4H3.
What are the key properties of 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of -0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24606026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).