4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane

C71H70N6O8 — CID 158484754

About 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane

4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane (PubChem CID 158484754) has the molecular formula C71H70N6O8 and a molecular weight of 1135.37 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-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane
• PubChem CID: 158484754
• Molecular Formula: C71H70N6O8
• Molecular Weight: 1135.37 g/mol
• Exact Mass: 1134.53
• IUPAC Name: 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane
• SMILES: C.Cc1c(CC(=O)c2cc(C3CC3)c(C=O)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(C=O)cn2)c1C.Cc1c(CC(=O)c2cc(C3CC3)c(CO)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CO)cn2)c1C
• InChI: InChI=1S/C35H35N3O4.C35H31N3O4.CH4/c2*1-20-24(13-34(41)32-14-29(22-9-10-22)25(18-39)16-36-32)5-3-6-27(20)28-7-4-8-31(21(28)2)38-35(42)33-15-30(23-11-12-23)26(19-40)17-37-33;/h3-8,14-17,22-23,39-40H,9-13,18-19H2,1-2H3,(H,38,42);3-8,14-19,22-23H,9-13H2,1-2H3,(H,38,42);1H4
• InChIKey: HHYOJTZRKMRNKU-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 218.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1135.37
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane?

The IUPAC name of 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane (CID 158484754) is 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane.

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-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane?

The canonical SMILES for 4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane is C.Cc1c(CC(=O)c2cc(C3CC3)c(C=O)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(C=O)cn2)c1C.Cc1c(CC(=O)c2cc(C3CC3)c(CO)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CO)cn2)c1C.

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

The InChIKey is HHYOJTZRKMRNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O4.C35H31N3O4.CH4/c2*1-20-24(13-34(41)32-14-29(22-9-10-22)25(18-39)16-36-32)5-3-6-27(20)28-7-4-8-31(21(28)2)38-35(42)33-15-30(23-11-12-23)26(19-40)17-37-33;/h3-8,14-17,22-23,39-40H,9-13,18-19H2,1-2H3,(H,38,42);3-8,14-19,22-23H,9-13H2,1-2H3,(H,38,42);1H4.

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-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane?

4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane has a molecular weight of 1135.37 g/mol, XLogP of 13.63, 20 rotatable bonds, 4 hydrogen bond donors, and 12 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-formylpyridine-2-carboxamide;4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide;methane is sourced from PubChem (CID 158484754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).