1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate

C24H22N3O3- — CID 163929394

IUPAC1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate
SMILESCc1ccc2c(c1)C([O-])CCCN2C(=O)c1ccc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C24H22N3O3/c1-16-9-12-21-19(14-16)22(28)8-5-13-27(21)24(30)20-11-10-18(15-25-20)26-23(29)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,22H,5,8,13H2,1H3,(H,26,29)/q-1
InChIKeyRHKNMGWYJJHQEP-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.48
Rot. Bonds3

About 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate

1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate (PubChem CID 163929394) has the molecular formula C24H22N3O3- and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate.

Molecular Properties

Compound Name1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate
PubChem CID163929394
Molecular FormulaC24H22N3O3-
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate
SMILESCc1ccc2c(c1)C([O-])CCCN2C(=O)c1ccc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C24H22N3O3/c1-16-9-12-21-19(14-16)22(28)8-5-13-27(21)24(30)20-11-10-18(15-25-20)26-23(29)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,22H,5,8,13H2,1H3,(H,26,29)/q-1
InChIKeyRHKNMGWYJJHQEP-UHFFFAOYSA-N
XLogP3.48
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate with MolForge

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Related Compounds

N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]benzamide
CID 71767691
N-[4-[5-(cyclopropylamino)-7-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 139635096
5-[(4-fluoro-2-phenylbenzoyl)amino]-2-(5-hydroxy-7-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid
CID 142567425
N-[4-[5-[ethyl(methyl)amino]-7-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 70064160
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
5-benzamido-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083660
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 70062128
N-[6-(cyclopropylamino)-3-pyridinyl]-3-methylbenzamide
CID 115268637

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate?
The IUPAC name of 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate (CID 163929394) is 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate.
What is the SMILES notation for 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate?
The canonical SMILES for 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate is Cc1ccc2c(c1)C([O-])CCCN2C(=O)c1ccc(NC(=O)c2ccccc2)cn1.
What is the InChIKey of 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate?
The InChIKey is RHKNMGWYJJHQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N3O3/c1-16-9-12-21-19(14-16)22(28)8-5-13-27(21)24(30)20-11-10-18(15-25-20)26-23(29)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,22H,5,8,13H2,1H3,(H,26,29)/q-1.
What are the key properties of 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate?
1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate has a molecular weight of 400.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzamidopyridine-2-carbonyl)-7-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-olate is sourced from PubChem (CID 163929394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).