2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide

C30H42N2O2 — CID 162110812

About 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide

2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide (PubChem CID 162110812) has the molecular formula C30H42N2O2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide
• PubChem CID: 162110812
• Molecular Formula: C30H42N2O2
• Molecular Weight: 462.68 g/mol
• Exact Mass: 462.32
• IUPAC Name: 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCNC(=O)c1cccnc1C
• InChI: InChI=1S/C30H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28(33)23-20-26-32-30(34)29-24-21-25-31-27(29)2/h4-5,7-8,10-11,13-14,16-17,21,24-25H,3,6,9,12,15,18-20,22-23,26H2,1-2H3,(H,32,34)/b5-4-,8-7-,11-10-,14-13-,17-16-
• InChIKey: ZGCYJGDMUFEETE-JEBPEJKESA-N
• XLogP: 7.39
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.68
LogP ≤ 5	7.39
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide?

The IUPAC name of 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide (CID 162110812) is 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCNC(=O)c1cccnc1C.

What is the InChIKey of 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide?

The InChIKey is ZGCYJGDMUFEETE-JEBPEJKESA-N. The full InChI is InChI=1S/C30H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28(33)23-20-26-32-30(34)29-24-21-25-31-27(29)2/h4-5,7-8,10-11,13-14,16-17,21,24-25H,3,6,9,12,15,18-20,22-23,26H2,1-2H3,(H,32,34)/b5-4-,8-7-,11-10-,14-13-,17-16-.

What are the key properties of 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide?

2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide has a molecular weight of 462.68 g/mol, XLogP of 7.39, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide is sourced from PubChem (CID 162110812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).