6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide

C26H27N3O — CID 167009420

About 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide

6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide (PubChem CID 167009420) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide
• PubChem CID: 167009420
• Molecular Formula: C26H27N3O
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.22
• IUPAC Name: 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide
• SMILES: C=Nc1ccc(-c2ccc(CCCNC(=O)c3ccc(C)nc3)cc2)cc1/C=C\C
• InChI: InChI=1S/C26H27N3O/c1-4-6-23-17-22(14-15-25(23)27-3)21-12-9-20(10-13-21)7-5-16-28-26(30)24-11-8-19(2)29-18-24/h4,6,8-15,17-18H,3,5,7,16H2,1-2H3,(H,28,30)/b6-4-
• InChIKey: QAELSZLAWNWORD-XQRVVYSFSA-N
• XLogP: 5.78
• TPSA: 54.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide?

The IUPAC name of 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide (CID 167009420) is 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide?

The canonical SMILES for 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide is C=Nc1ccc(-c2ccc(CCCNC(=O)c3ccc(C)nc3)cc2)cc1/C=C\C.

What is the InChIKey of 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide?

The InChIKey is QAELSZLAWNWORD-XQRVVYSFSA-N. The full InChI is InChI=1S/C26H27N3O/c1-4-6-23-17-22(14-15-25(23)27-3)21-12-9-20(10-13-21)7-5-16-28-26(30)24-11-8-19(2)29-18-24/h4,6,8-15,17-18H,3,5,7,16H2,1-2H3,(H,28,30)/b6-4-.

What are the key properties of 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide?

6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 167009420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).