6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide

C16H16N4O2 — CID 172991050

IUPAC6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C16H16N4O2/c1-10(21)18-15-4-2-3-14(20-15)16(22)19-13-6-5-11-8-17-9-12(11)7-13/h2-7,17H,8-9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyKQBMXRREZCCFEX-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.90
Rot. Bonds3

About 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide

6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide (PubChem CID 172991050) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide
PubChem CID172991050
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C16H16N4O2/c1-10(21)18-15-4-2-3-14(20-15)16(22)19-13-6-5-11-8-17-9-12(11)7-13/h2-7,17H,8-9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyKQBMXRREZCCFEX-UHFFFAOYSA-N
XLogP1.90
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-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 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide (CID 172991050) is 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide is CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CNC3)n1.
What is the InChIKey of 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide?
The InChIKey is KQBMXRREZCCFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10(21)18-15-4-2-3-14(20-15)16(22)19-13-6-5-11-8-17-9-12(11)7-13/h2-7,17H,8-9H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide?
6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 172991050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).