7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine

C20H17N3 — CID 178156348

IUPAC7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine
SMILESC1=Nc2c(cc(-c3cccnc3)cc2-c2ccncc2)CCC1
InChIInChI=1S/C20H17N3/c1-2-9-23-20-16(4-1)12-18(17-5-3-8-22-14-17)13-19(20)15-6-10-21-11-7-15/h3,5-14H,1-2,4H2
InChIKeyGTRFVGAXZZKWNA-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.85
Rot. Bonds2

About 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine

7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine (PubChem CID 178156348) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine.

Molecular Properties

Compound Name7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine
PubChem CID178156348
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine
SMILESC1=Nc2c(cc(-c3cccnc3)cc2-c2ccncc2)CCC1
InChIInChI=1S/C20H17N3/c1-2-9-23-20-16(4-1)12-18(17-5-3-8-22-14-17)13-19(20)15-6-10-21-11-7-15/h3,5-14H,1-2,4H2
InChIKeyGTRFVGAXZZKWNA-UHFFFAOYSA-N
XLogP4.85
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
3-(3-fluoro-4-iodo-5-pyridin-4-ylphenyl)pyridine
CID 46316518
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide
CID 143888757
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309
5-pyridin-3-yl-2,3-dihydroinden-1-one
CID 18407230
3-(3,5-diphenylphenyl)pyridine
CID 141411458
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
6-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410365
3-(2-fluoro-3-pyridin-4-ylphenyl)pyridine
CID 46316510

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine?
The IUPAC name of 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine (CID 178156348) is 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine.
What is the SMILES notation for 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine?
The canonical SMILES for 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine is C1=Nc2c(cc(-c3cccnc3)cc2-c2ccncc2)CCC1.
What is the InChIKey of 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine?
The InChIKey is GTRFVGAXZZKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-2-9-23-20-16(4-1)12-18(17-5-3-8-22-14-17)13-19(20)15-6-10-21-11-7-15/h3,5-14H,1-2,4H2.
What are the key properties of 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine?
7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine has a molecular weight of 299.38 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine is sourced from PubChem (CID 178156348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).