6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide

C21H18ClN3O — CID 118158983

IUPAC6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
SMILESCN1c2ccc(Cl)cc2CCc2cc(-c3cccc(C(N)=O)n3)ccc21
InChIInChI=1S/C21H18ClN3O/c1-25-19-9-7-13(17-3-2-4-18(24-17)21(23)26)11-14(19)5-6-15-12-16(22)8-10-20(15)25/h2-4,7-12H,5-6H2,1H3,(H2,23,26)
InChIKeyNOHUFCHXXKZLQG-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.37
Rot. Bonds2

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

6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide (PubChem CID 118158983) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
PubChem CID118158983
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
SMILESCN1c2ccc(Cl)cc2CCc2cc(-c3cccc(C(N)=O)n3)ccc21
InChIInChI=1S/C21H18ClN3O/c1-25-19-9-7-13(17-3-2-4-18(24-17)21(23)26)11-14(19)5-6-15-12-16(22)8-10-20(15)25/h2-4,7-12H,5-6H2,1H3,(H2,23,26)
InChIKeyNOHUFCHXXKZLQG-UHFFFAOYSA-N
XLogP4.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide (CID 118158983) is 6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide is CN1c2ccc(Cl)cc2CCc2cc(-c3cccc(C(N)=O)n3)ccc21.
What is the InChIKey of 6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
The InChIKey is NOHUFCHXXKZLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-25-19-9-7-13(17-3-2-4-18(24-17)21(23)26)11-14(19)5-6-15-12-16(22)8-10-20(15)25/h2-4,7-12H,5-6H2,1H3,(H2,23,26).
What are the key properties of 6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118158983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).