6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one

C16H17N3O — CID 169429080

IUPAC6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one
SMILESCNCc1ccc(C2=CN(C)C(=O)C3=NC=CC23)cc1
InChIInChI=1S/C16H17N3O/c1-17-9-11-3-5-12(6-4-11)14-10-19(2)16(20)15-13(14)7-8-18-15/h3-8,10,13,17H,9H2,1-2H3
InChIKeyNPJVATPYVPAGHY-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.80
Rot. Bonds3

About 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 169429080) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one
PubChem CID169429080
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one
SMILESCNCc1ccc(C2=CN(C)C(=O)C3=NC=CC23)cc1
InChIInChI=1S/C16H17N3O/c1-17-9-11-3-5-12(6-4-11)14-10-19(2)16(20)15-13(14)7-8-18-15/h3-8,10,13,17H,9H2,1-2H3
InChIKeyNPJVATPYVPAGHY-UHFFFAOYSA-N
XLogP1.80
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one 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 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one (CID 169429080) is 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one is CNCc1ccc(C2=CN(C)C(=O)C3=NC=CC23)cc1.
What is the InChIKey of 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is NPJVATPYVPAGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-17-9-11-3-5-12(6-4-11)14-10-19(2)16(20)15-13(14)7-8-18-15/h3-8,10,13,17H,9H2,1-2H3.
What are the key properties of 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 267.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 169429080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).