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

C17H25N5O3 — CID 97193960

IUPAC(3R)-3-(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)[C@@H]1CCCN(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/t12-/m1/s1
InChIKeyVVHQOONKPBAPEM-GFCCVEGCSA-N
MW347.42 g/mol
LogP0.32
Rot. Bonds1

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

(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 97193960) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID97193960
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(3R)-3-(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)[C@@H]1CCCN(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/t12-/m1/s1
InChIKeyVVHQOONKPBAPEM-GFCCVEGCSA-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 (3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

2-{3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1-piperidinyl}acetamide
CID 70756625
3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1-piperidinecarboxamide
CID 72851702
3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-N,N-dimethyl-1-piperidinecarboxamide
CID 72870896
6-{[1-(cyclobutylcarbonyl)-4-piperidinyl]carbonyl}-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72873392
6-[(1-acetyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72887851
6-[(1-cyclopentyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72908888
2-methyl-6-[3-(1-methyl-3-piperidinyl)propanoyl]-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136216733
2,3-dimethyl-6-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72871662
6-[(1-ethyl-6-oxo-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70756341
6-[(1-cyclopentyl-6-oxo-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72848870
2,3-Dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72868898
6-{[1-(methoxyacetyl)-3-piperidinyl]carbonyl}-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72872223

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (CID 97193960) is (3R)-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 (3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-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)[C@@H]1CCCN(C(=O)N(C)C)C1)C2.
What is the InChIKey of (3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is VVHQOONKPBAPEM-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
(3R)-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 (3R)-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 97193960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).