N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide

C34H27N3O2 — CID 22099878

IUPACN-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide
SMILESCc1cc(NC(=O)c2ccccc2-c2cccnc2)ccc1C(=O)N1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C34H27N3O2/c1-23-19-28(36-33(38)31-14-6-5-13-30(31)26-12-8-18-35-21-26)16-17-29(23)34(39)37-22-27-11-3-2-9-24(27)20-25-10-4-7-15-32(25)37/h2-19,21H,20,22H2,1H3,(H,36,38)
InChIKeyLDDNYJMPDRCYTL-UHFFFAOYSA-N
MW509.61 g/mol
LogP7.06
Rot. Bonds4

About N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide

N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide (PubChem CID 22099878) has the molecular formula C34H27N3O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide
PubChem CID22099878
Molecular FormulaC34H27N3O2
Molecular Weight509.61 g/mol
Exact Mass509.21
IUPAC NameN-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide
SMILESCc1cc(NC(=O)c2ccccc2-c2cccnc2)ccc1C(=O)N1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C34H27N3O2/c1-23-19-28(36-33(38)31-14-6-5-13-30(31)26-12-8-18-35-21-26)16-17-29(23)34(39)37-22-27-11-3-2-9-24(27)20-25-10-4-7-15-32(25)37/h2-19,21H,20,22H2,1H3,(H,36,38)
InChIKeyLDDNYJMPDRCYTL-UHFFFAOYSA-N
XLogP7.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-3-yl)-N-[3-methyl-4-(5H-pyrido[2,3-b][1,5]benzoxazepine-6-carbonyl)phenyl]benzamide
CID 22099848
N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide
CID 22099999
N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide
CID 22099623
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
CID 144602940
2-chloro-N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-3-methylphenyl]pyridine-3-carboxamide
CID 22100018
N-[4-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 15308000
N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-phenylbenzamide
CID 10459252
N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide
CID 22099803
2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
CID 67625330
N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
CID 67624769
N-[3-chloro-4-(4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbonyl)phenyl]-2-phenylbenzamide
CID 91077102
N-[4-(5H-pyrido[2,3-b][1,5]benzoxazepine-6-carbonyl)phenyl]-2-thiophen-3-ylbenzamide
CID 22099547

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide (CID 22099878) is N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide is Cc1cc(NC(=O)c2ccccc2-c2cccnc2)ccc1C(=O)N1Cc2ccccc2Cc2ccccc21.
What is the InChIKey of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide?
The InChIKey is LDDNYJMPDRCYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3O2/c1-23-19-28(36-33(38)31-14-6-5-13-30(31)26-12-8-18-35-21-26)16-17-29(23)34(39)37-22-27-11-3-2-9-24(27)20-25-10-4-7-15-32(25)37/h2-19,21H,20,22H2,1H3,(H,36,38).
What are the key properties of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide?
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide has a molecular weight of 509.61 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide is sourced from PubChem (CID 22099878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).