5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide

C24H20BrN3O2 — CID 130249036

IUPAC5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)-c1ccccc1N(C(=O)c1cccc(Br)n1)CC2
InChIInChI=1S/C24H20BrN3O2/c25-22-7-3-5-20(27-22)24(30)28-13-12-15-8-9-16(23(29)26-17-10-11-17)14-19(15)18-4-1-2-6-21(18)28/h1-9,14,17H,10-13H2,(H,26,29)
InChIKeyRBOBANSOPLRPAR-UHFFFAOYSA-N
MW462.35 g/mol
LogP4.61
Rot. Bonds3

About 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide

5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide (PubChem CID 130249036) has the molecular formula C24H20BrN3O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide.

Molecular Properties

Compound Name5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide
PubChem CID130249036
Molecular FormulaC24H20BrN3O2
Molecular Weight462.35 g/mol
Exact Mass461.07
IUPAC Name5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)-c1ccccc1N(C(=O)c1cccc(Br)n1)CC2
InChIInChI=1S/C24H20BrN3O2/c25-22-7-3-5-20(27-22)24(30)28-13-12-15-8-9-16(23(29)26-17-10-11-17)14-19(15)18-4-1-2-6-21(18)28/h1-9,14,17H,10-13H2,(H,26,29)
InChIKeyRBOBANSOPLRPAR-UHFFFAOYSA-N
XLogP4.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-6-(6-piperidin-4-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247745
N-cyclopropyl-6-[6-(6-methoxy-3-pyridinyl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247746
N-cyclopropyl-6-[6-(5-methyl-3-pyridinyl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248468
6-[6-(3-aminopyrrolidin-1-yl)pyridine-2-carbonyl]-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247976
N-cyclopropyl-6-[6-(2-pyridin-2-ylpropan-2-ylamino)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248484
N-cyclopropyl-6-[6-(3-morpholin-4-ylphenyl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247749
N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130249601
N-cyclopropyl-6-[6-[2-(1,4-oxazepan-4-yl)-3-pyridinyl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248798
N-cyclopropyl-6-[6-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248500
N-cyclopropyl-6-[6-(8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248085
5-[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridine-2-carbonyl]-6,7-dihydrobenzo[d][1]benzazepine-9-carbohydrazide
CID 130248254
1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115496318

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide?
The IUPAC name of 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide (CID 130249036) is 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide.
What is the SMILES notation for 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide?
The canonical SMILES for 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide is O=C(NC1CC1)c1ccc2c(c1)-c1ccccc1N(C(=O)c1cccc(Br)n1)CC2.
What is the InChIKey of 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide?
The InChIKey is RBOBANSOPLRPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O2/c25-22-7-3-5-20(27-22)24(30)28-13-12-15-8-9-16(23(29)26-17-10-11-17)14-19(15)18-4-1-2-6-21(18)28/h1-9,14,17H,10-13H2,(H,26,29).
What are the key properties of 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide?
5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide has a molecular weight of 462.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromopyridine-2-carbonyl)-N-cyclopropyl-6,7-dihydrobenzo[d][1]benzazepine-10-carboxamide is sourced from PubChem (CID 130249036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).