4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile

C15H18N4O — CID 103195610

IUPAC4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC3C(=O)NCC32)n1
InChIInChI=1S/C15H18N4O/c1-9-6-10(2)18-14(12(9)7-16)19-5-3-4-11-13(19)8-17-15(11)20/h6,11,13H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyDFBPAFDIOVEKIN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.28
Rot. Bonds1

About 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile

4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile (PubChem CID 103195610) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile
PubChem CID103195610
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC3C(=O)NCC32)n1
InChIInChI=1S/C15H18N4O/c1-9-6-10(2)18-14(12(9)7-16)19-5-3-4-11-13(19)8-17-15(11)20/h6,11,13H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyDFBPAFDIOVEKIN-UHFFFAOYSA-N
XLogP1.28
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile with MolForge

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Related Compounds

3-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridazine-4-carbonitrile
CID 103195560
4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 55217676
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687978
3-amino-6-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-2-carbonitrile
CID 103469335
(4aR,7aS)-1-(5-bromo-6-methyl-2-pyridinyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 100684320
1-(3-amino-5-chloro-2-pyridinyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194493
2-bromo-4-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)benzonitrile
CID 107276822
1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198613
2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55061903
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55100699

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile (CID 103195610) is 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCCC3C(=O)NCC32)n1.
What is the InChIKey of 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile?
The InChIKey is DFBPAFDIOVEKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-6-10(2)18-14(12(9)7-16)19-5-3-4-11-13(19)8-17-15(11)20/h6,11,13H,3-5,8H2,1-2H3,(H,17,20).
What are the key properties of 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 103195610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).