7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide

C20H21N3O2 — CID 146644405

IUPAC7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1C(=O)NCCc3ccccc31)C2
InChIInChI=1S/C20H21N3O2/c1-12-5-4-7-14-11-16(22-17(12)14)19(24)23-18-15-8-3-2-6-13(15)9-10-21-20(18)25/h2-8,16,18,22H,9-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyNMGPUHALQJZOHS-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.86
Rot. Bonds2

About 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide

7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146644405) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146644405
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1C(=O)NCCc3ccccc31)C2
InChIInChI=1S/C20H21N3O2/c1-12-5-4-7-14-11-16(22-17(12)14)19(24)23-18-15-8-3-2-6-13(15)9-10-21-20(18)25/h2-8,16,18,22H,9-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyNMGPUHALQJZOHS-UHFFFAOYSA-N
XLogP1.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 146644405) is 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)NC1C(=O)NCCc3ccccc31)C2.
What is the InChIKey of 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is NMGPUHALQJZOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-5-4-7-14-11-16(22-17(12)14)19(24)23-18-15-8-3-2-6-13(15)9-10-21-20(18)25/h2-8,16,18,22H,9-11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide?
7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146644405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).