3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

C24H24N2O2 — CID 142616743

IUPAC3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1ccc(-c3ccccc3)cn1)CCCCC2
InChIInChI=1S/C24H24N2O2/c1-28-22-15-19-11-7-3-6-10-18(19)14-21(22)24(27)26-23-13-12-20(16-25-23)17-8-4-2-5-9-17/h2,4-5,8-9,12-16H,3,6-7,10-11H2,1H3,(H,25,26,27)
InChIKeySMXCSQGLQJPDAZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.28
Rot. Bonds4

About 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (PubChem CID 142616743) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
PubChem CID142616743
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1ccc(-c3ccccc3)cn1)CCCCC2
InChIInChI=1S/C24H24N2O2/c1-28-22-15-19-11-7-3-6-10-18(19)14-21(22)24(27)26-23-13-12-20(16-25-23)17-8-4-2-5-9-17/h2,4-5,8-9,12-16H,3,6-7,10-11H2,1H3,(H,25,26,27)
InChIKeySMXCSQGLQJPDAZ-UHFFFAOYSA-N
XLogP5.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (CID 142616743) is 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is COc1cc2c(cc1C(=O)Nc1ccc(-c3ccccc3)cn1)CCCCC2.
What is the InChIKey of 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The InChIKey is SMXCSQGLQJPDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-28-22-15-19-11-7-3-6-10-18(19)14-21(22)24(27)26-23-13-12-20(16-25-23)17-8-4-2-5-9-17/h2,4-5,8-9,12-16H,3,6-7,10-11H2,1H3,(H,25,26,27).
What are the key properties of 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-phenyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is sourced from PubChem (CID 142616743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).