6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide

C20H16ClN3O — CID 118158996

IUPAC6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc3c(c2)CCc2cc(Cl)ccc2N3)n1
InChIInChI=1S/C20H16ClN3O/c21-15-7-9-18-14(11-15)5-4-12-10-13(6-8-17(12)23-18)16-2-1-3-19(24-16)20(22)25/h1-3,6-11,23H,4-5H2,(H2,22,25)
InChIKeyDHGZFNINOOBXHZ-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.34
Rot. Bonds2

About 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide

6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide (PubChem CID 118158996) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
PubChem CID118158996
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc3c(c2)CCc2cc(Cl)ccc2N3)n1
InChIInChI=1S/C20H16ClN3O/c21-15-7-9-18-14(11-15)5-4-12-10-13(6-8-17(12)23-18)16-2-1-3-19(24-16)20(22)25/h1-3,6-11,23H,4-5H2,(H2,22,25)
InChIKeyDHGZFNINOOBXHZ-UHFFFAOYSA-N
XLogP4.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-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-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide (CID 118158996) is 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc3c(c2)CCc2cc(Cl)ccc2N3)n1.
What is the InChIKey of 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
The InChIKey is DHGZFNINOOBXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c21-15-7-9-18-14(11-15)5-4-12-10-13(6-8-17(12)23-18)16-2-1-3-19(24-16)20(22)25/h1-3,6-11,23H,4-5H2,(H2,22,25).
What are the key properties of 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118158996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).