N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

C28H33N3O2 — CID 11690814

About N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (PubChem CID 11690814) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
• PubChem CID: 11690814
• Molecular Formula: C28H33N3O2
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.26
• IUPAC Name: N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
• SMILES: COc1ccc2c(n1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CC2
• InChI: InChI=1S/C28H33N3O2/c1-19(2)21-8-14-24(15-9-21)31(18-20-6-12-23(13-7-20)30(3)4)28(32)25-16-10-22-11-17-26(33-5)29-27(22)25/h6-9,11-15,17,19,25H,10,16,18H2,1-5H3
• InChIKey: RZCLMJXODNGCNW-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?

The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (CID 11690814) is N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.

What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?

The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is COc1ccc2c(n1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CC2.

What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?

The InChIKey is RZCLMJXODNGCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-19(2)21-8-14-24(15-9-21)31(18-20-6-12-23(13-7-20)30(3)4)28(32)25-16-10-22-11-17-26(33-5)29-27(22)25/h6-9,11-15,17,19,25H,10,16,18H2,1-5H3.

What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?

N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is sourced from PubChem (CID 11690814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).