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

C17H25N5O3 — CID 72870896

IUPAC3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCCN(C(=O)N(C)C)C1)C2
InChIInChI=1S/C17H25N5O3/c1-11-18-14-10-22(9-13(14)16(24)20(11)4)15(23)12-6-5-7-21(8-12)17(25)19(2)3/h12H,5-10H2,1-4H3
InChIKeyVVHQOONKPBAPEM-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.32
Rot. Bonds1

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

3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 72870896) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID72870896
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCCN(C(=O)N(C)C)C1)C2
InChIInChI=1S/C17H25N5O3/c1-11-18-14-10-22(9-13(14)16(24)20(11)4)15(23)12-6-5-7-21(8-12)17(25)19(2)3/h12H,5-10H2,1-4H3
InChIKeyVVHQOONKPBAPEM-UHFFFAOYSA-N
XLogP0.32
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-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)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (CID 72870896) is 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide is Cc1nc2c(c(=O)n1C)CN(C(=O)C1CCCN(C(=O)N(C)C)C1)C2.
What is the InChIKey of 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is VVHQOONKPBAPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-18-14-10-22(9-13(14)16(24)20(11)4)15(23)12-6-5-7-21(8-12)17(25)19(2)3/h12H,5-10H2,1-4H3.
What are the key properties of 3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 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)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 72870896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).