4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide

C20H17N3O — CID 133469701

IUPAC4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C20H17N3O/c21-20(24)18-11-22-10-9-19(18)23-12-14-5-1-3-7-16(14)17-8-4-2-6-15(17)13-23/h1-11H,12-13H2,(H2,21,24)
InChIKeyXUDONFCYWMMHGN-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.37
Rot. Bonds2

About 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide

4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide (PubChem CID 133469701) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide
PubChem CID133469701
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C20H17N3O/c21-20(24)18-11-22-10-9-19(18)23-12-14-5-1-3-7-16(14)17-8-4-2-6-15(17)13-23/h1-11H,12-13H2,(H2,21,24)
InChIKeyXUDONFCYWMMHGN-UHFFFAOYSA-N
XLogP3.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-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 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide (CID 133469701) is 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide is NC(=O)c1cnccc1N1Cc2ccccc2-c2ccccc2C1.
What is the InChIKey of 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide?
The InChIKey is XUDONFCYWMMHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-20(24)18-11-22-10-9-19(18)23-12-14-5-1-3-7-16(14)17-8-4-2-6-15(17)13-23/h1-11H,12-13H2,(H2,21,24).
What are the key properties of 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide?
4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133469701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).