1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one

C16H17N3O2 — CID 146040132

IUPAC1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one
SMILESCc1cc2c(cn1)CN(C(=O)c1ccc(C)n(C)c1=O)C2
InChIInChI=1S/C16H17N3O2/c1-10-6-12-8-19(9-13(12)7-17-10)16(21)14-5-4-11(2)18(3)15(14)20/h4-7H,8-9H2,1-3H3
InChIKeyGGVBQSKOLZSDMB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.55
Rot. Bonds1

About 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one

1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one (PubChem CID 146040132) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one
PubChem CID146040132
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one
SMILESCc1cc2c(cn1)CN(C(=O)c1ccc(C)n(C)c1=O)C2
InChIInChI=1S/C16H17N3O2/c1-10-6-12-8-19(9-13(12)7-17-10)16(21)14-5-4-11(2)18(3)15(14)20/h4-7H,8-9H2,1-3H3
InChIKeyGGVBQSKOLZSDMB-UHFFFAOYSA-N
XLogP1.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one (CID 146040132) is 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one is Cc1cc2c(cn1)CN(C(=O)c1ccc(C)n(C)c1=O)C2.
What is the InChIKey of 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one?
The InChIKey is GGVBQSKOLZSDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-6-12-8-19(9-13(12)7-17-10)16(21)14-5-4-11(2)18(3)15(14)20/h4-7H,8-9H2,1-3H3.
What are the key properties of 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one?
1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one is sourced from PubChem (CID 146040132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).