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

C22H20ClN3O — CID 118158989

IUPAC6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
SMILESCCN1c2ccc(Cl)cc2CCc2cc(-c3cccc(C(N)=O)n3)ccc21
InChIInChI=1S/C22H20ClN3O/c1-2-26-20-10-8-14(18-4-3-5-19(25-18)22(24)27)12-15(20)6-7-16-13-17(23)9-11-21(16)26/h3-5,8-13H,2,6-7H2,1H3,(H2,24,27)
InChIKeyQLZVMWKHFUDCAB-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.76
Rot. Bonds3

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

6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide (PubChem CID 118158989) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is 6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
PubChem CID118158989
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
SMILESCCN1c2ccc(Cl)cc2CCc2cc(-c3cccc(C(N)=O)n3)ccc21
InChIInChI=1S/C22H20ClN3O/c1-2-26-20-10-8-14(18-4-3-5-19(25-18)22(24)27)12-15(20)6-7-16-13-17(23)9-11-21(16)26/h3-5,8-13H,2,6-7H2,1H3,(H2,24,27)
InChIKeyQLZVMWKHFUDCAB-UHFFFAOYSA-N
XLogP4.76
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60155921
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CID 118158983
CID 118158983
CID 118158996
CID 118158996
CID 118255633
CID 118255633
CID 118255663
CID 118255663
CID 118267016
CID 118267016
CID 118267018
CID 118267018
CID 3025660
CID 3025660
CID 10667910
CID 10667910

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide (CID 118158989) is 6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide is CCN1c2ccc(Cl)cc2CCc2cc(-c3cccc(C(N)=O)n3)ccc21.
What is the InChIKey of 6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
The InChIKey is QLZVMWKHFUDCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c1-2-26-20-10-8-14(18-4-3-5-19(25-18)22(24)27)12-15(20)6-7-16-13-17(23)9-11-21(16)26/h3-5,8-13H,2,6-7H2,1H3,(H2,24,27).
What are the key properties of 6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide?
6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118158989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).