5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide

C35H50N4O — CID 143233462

About 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide

5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 143233462) has the molecular formula C35H50N4O and a molecular weight of 542.81 g/mol. Its IUPAC name is 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide
• PubChem CID: 143233462
• Molecular Formula: C35H50N4O
• Molecular Weight: 542.81 g/mol
• Exact Mass: 542.40
• IUPAC Name: 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide
• SMILES: C/C=C\C(=C/C=C(\C)CC)N(C)c1ccc(CN(C(=O)c2ccc(C)cn2)C2CCN(CCC(C)C)CC2)cc1
• InChI: InChI=1S/C35H50N4O/c1-8-10-31(15-11-28(5)9-2)37(7)32-16-13-30(14-17-32)26-39(35(40)34-18-12-29(6)25-36-34)33-20-23-38(24-21-33)22-19-27(3)4/h8,10-18,25,27,33H,9,19-24,26H2,1-7H3/b10-8-,28-11+,31-15+
• InChIKey: YYBLKMDTQMLNPZ-DQQVHILDSA-N
• XLogP: 7.80
• TPSA: 39.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.81
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide?

The IUPAC name of 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide (CID 143233462) is 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide is C/C=C\C(=C/C=C(\C)CC)N(C)c1ccc(CN(C(=O)c2ccc(C)cn2)C2CCN(CCC(C)C)CC2)cc1.

What is the InChIKey of 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide?

The InChIKey is YYBLKMDTQMLNPZ-DQQVHILDSA-N. The full InChI is InChI=1S/C35H50N4O/c1-8-10-31(15-11-28(5)9-2)37(7)32-16-13-30(14-17-32)26-39(35(40)34-18-12-29(6)25-36-34)33-20-23-38(24-21-33)22-19-27(3)4/h8,10-18,25,27,33H,9,19-24,26H2,1-7H3/b10-8-,28-11+,31-15+.

What are the key properties of 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide?

5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 542.81 g/mol, XLogP of 7.80, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 143233462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).