N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen

C24H27N3O — CID 169176045

About N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen

N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen (PubChem CID 169176045) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen
• PubChem CID: 169176045
• Molecular Formula: C24H27N3O
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.22
• IUPAC Name: N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen
• SMILES: Cc1ccc(NC(=O)N2CC3CCC2C2=C3CCC=C2)cc1-c1ccccn1.[H][H]
• InChI: InChI=1S/C24H25N3O.H2/c1-16-9-11-18(14-21(16)22-8-4-5-13-25-22)26-24(28)27-15-17-10-12-23(27)20-7-3-2-6-19(17)20;/h3-5,7-9,11,13-14,17,23H,2,6,10,12,15H2,1H3,(H,26,28);1H
• InChIKey: QYMAEUKOZPDAIX-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen?

The IUPAC name of N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen (CID 169176045) is N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen.

What is the SMILES notation for N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen?

The canonical SMILES for N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen is Cc1ccc(NC(=O)N2CC3CCC2C2=C3CCC=C2)cc1-c1ccccn1.[H][H].

What is the InChIKey of N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen?

The InChIKey is QYMAEUKOZPDAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O.H2/c1-16-9-11-18(14-21(16)22-8-4-5-13-25-22)26-24(28)27-15-17-10-12-23(27)20-7-3-2-6-19(17)20;/h3-5,7-9,11,13-14,17,23H,2,6,10,12,15H2,1H3,(H,26,28);1H.

What are the key properties of N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen?

N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen has a molecular weight of 373.50 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen is sourced from PubChem (CID 169176045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).