N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide

C26H20FN3O2S — CID 70069070

IUPACN-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3ccsc3-c3ccccc32)cn1
InChIInChI=1S/C26H20FN3O2S/c1-16-6-8-19(27)14-21(16)25(31)29-23-9-7-18(15-28-23)26(32)30-12-10-17-11-13-33-24(17)20-4-2-3-5-22(20)30/h2-9,11,13-15H,10,12H2,1H3,(H,28,29,31)
InChIKeyXIANXBNWAFZADW-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.71
Rot. Bonds3

About N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide

N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (PubChem CID 70069070) has the molecular formula C26H20FN3O2S and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
PubChem CID70069070
Molecular FormulaC26H20FN3O2S
Molecular Weight457.53 g/mol
Exact Mass457.13
IUPAC NameN-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3ccsc3-c3ccccc32)cn1
InChIInChI=1S/C26H20FN3O2S/c1-16-6-8-19(27)14-21(16)25(31)29-23-9-7-18(15-28-23)26(32)30-12-10-17-11-13-33-24(17)20-4-2-3-5-22(20)30/h2-9,11,13-15H,10,12H2,1H3,(H,28,29,31)
InChIKeyXIANXBNWAFZADW-UHFFFAOYSA-N
XLogP5.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide with MolForge

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Related Compounds

5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
CID 19699131
5-fluoro-2-methyl-N-[4-(3-oxa-13-thia-4,9-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-9-carbonyl)phenyl]benzamide
CID 19699061
5-fluoro-2-methyl-N-[4-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)phenyl]benzamide
CID 19699096
N-cyclopropyl-6-[6-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pyridine-3-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 72725301
N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide
CID 22903466
5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
CID 19699094
N-[4-[2-[2-(2-fluoro-6-methylphenyl)acetyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2,5-dimethylpyridine-3-carboxamide
CID 158280937
N-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-2,3-dimethylbenzamide
CID 139690677
N-[5-[7-chloro-4,4-difluoro-5-hydroxy-5-(hydroxymethyl)-2,3-dihydro-1-benzazepine-1-carbonyl]-2-pyridinyl]-5-fluoro-2-phenylbenzamide
CID 153301597
N-[5-[(5R)-7-chloro-4,4-difluoro-5-hydroxy-5-(hydroxymethyl)-2,3-dihydro-1-benzazepine-1-carbonyl]-2-pyridinyl]-2-(4-fluorophenyl)benzamide
CID 137373706
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 22099762
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (CID 70069070) is N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3ccsc3-c3ccccc32)cn1.
What is the InChIKey of N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The InChIKey is XIANXBNWAFZADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2S/c1-16-6-8-19(27)14-21(16)25(31)29-23-9-7-18(15-28-23)26(32)30-12-10-17-11-13-33-24(17)20-4-2-3-5-22(20)30/h2-9,11,13-15H,10,12H2,1H3,(H,28,29,31).
What are the key properties of N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide has a molecular weight of 457.53 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 70069070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).