3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C16H17N3O2 — CID 35505129

IUPAC3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1cccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)n1
InChIInChI=1S/C16H17N3O2/c1-9-5-3-8-13(17-9)19-16(21)15-10(2)14-11(18-15)6-4-7-12(14)20/h3,5,8,18H,4,6-7H2,1-2H3,(H,17,19,21)
InChIKeyZSIMOALEUKZJFR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.80
Rot. Bonds2

About 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 35505129) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID35505129
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1cccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)n1
InChIInChI=1S/C16H17N3O2/c1-9-5-3-8-13(17-9)19-16(21)15-10(2)14-11(18-15)6-4-7-12(14)20/h3,5,8,18H,4,6-7H2,1-2H3,(H,17,19,21)
InChIKeyZSIMOALEUKZJFR-UHFFFAOYSA-N
XLogP2.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-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-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 35505129) is 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1cccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)n1.
What is the InChIKey of 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is ZSIMOALEUKZJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-5-3-8-13(17-9)19-16(21)15-10(2)14-11(18-15)6-4-7-12(14)20/h3,5,8,18H,4,6-7H2,1-2H3,(H,17,19,21).
What are the key properties of 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 35505129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).