3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide

C15H21N5O3 — CID 72851702

IUPAC3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCCN(C(N)=O)C1)C2
InChIInChI=1S/C15H21N5O3/c1-9-17-12-8-20(7-11(12)14(22)18(9)2)13(21)10-4-3-5-19(6-10)15(16)23/h10H,3-8H2,1-2H3,(H2,16,23)
InChIKeyGCUDJGNEWTVIEM-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.28
Rot. Bonds1

About 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide

3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide (PubChem CID 72851702) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide
PubChem CID72851702
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCCN(C(N)=O)C1)C2
InChIInChI=1S/C15H21N5O3/c1-9-17-12-8-20(7-11(12)14(22)18(9)2)13(21)10-4-3-5-19(6-10)15(16)23/h10H,3-8H2,1-2H3,(H2,16,23)
InChIKeyGCUDJGNEWTVIEM-UHFFFAOYSA-N
XLogP-0.28
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide (CID 72851702) is 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide is Cc1nc2c(c(=O)n1C)CN(C(=O)C1CCCN(C(N)=O)C1)C2.
What is the InChIKey of 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide?
The InChIKey is GCUDJGNEWTVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9-17-12-8-20(7-11(12)14(22)18(9)2)13(21)10-4-3-5-19(6-10)15(16)23/h10H,3-8H2,1-2H3,(H2,16,23).
What are the key properties of 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide?
3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 72851702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).