4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide

C37H37N3O5 — CID 167666897

About 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide

4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide (PubChem CID 167666897) has the molecular formula C37H37N3O5 and a molecular weight of 603.72 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide
• PubChem CID: 167666897
• Molecular Formula: C37H37N3O5
• Molecular Weight: 603.72 g/mol
• Exact Mass: 603.27
• IUPAC Name: 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide
• SMILES: COC(OC)c1cnc(C(=O)Nc2cccc(-c3cccc(CC(=O)c4cc(C5CC5)c(C=O)cn4)c3C)c2C)cc1C1CC1
• InChI: InChI=1S/C37H37N3O5/c1-21-25(15-35(42)33-16-29(23-11-12-23)26(20-41)18-38-33)7-5-8-27(21)28-9-6-10-32(22(28)2)40-36(43)34-17-30(24-13-14-24)31(19-39-34)37(44-3)45-4/h5-10,16-20,23-24,37H,11-15H2,1-4H3,(H,40,43)
• InChIKey: RYVIWWNZSPHTRD-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 107.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.72
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide?

The IUPAC name of 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide (CID 167666897) is 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide.

What is the SMILES notation for 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide?

The canonical SMILES for 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide is COC(OC)c1cnc(C(=O)Nc2cccc(-c3cccc(CC(=O)c4cc(C5CC5)c(C=O)cn4)c3C)c2C)cc1C1CC1.

What is the InChIKey of 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide?

The InChIKey is RYVIWWNZSPHTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N3O5/c1-21-25(15-35(42)33-16-29(23-11-12-23)26(20-41)18-38-33)7-5-8-27(21)28-9-6-10-32(22(28)2)40-36(43)34-17-30(24-13-14-24)31(19-39-34)37(44-3)45-4/h5-10,16-20,23-24,37H,11-15H2,1-4H3,(H,40,43).

What are the key properties of 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide?

4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide has a molecular weight of 603.72 g/mol, XLogP of 7.30, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167666897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).