N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide

C24H30N4O2 — CID 3719823

About N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide

N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide (PubChem CID 3719823) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide
• PubChem CID: 3719823
• Molecular Formula: C24H30N4O2
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.24
• IUPAC Name: N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc2n(c1=O)CC1CC2CN(CC2CCCCC2)C1)c1ccncc1
• InChI: InChI=1S/C24H30N4O2/c29-23(19-8-10-25-11-9-19)26-21-6-7-22-20-12-18(15-28(22)24(21)30)14-27(16-20)13-17-4-2-1-3-5-17/h6-11,17-18,20H,1-5,12-16H2,(H,26,29)
• InChIKey: LPZGYHUFCMDGHM-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide?

The IUPAC name of N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide (CID 3719823) is N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide is O=C(Nc1ccc2n(c1=O)CC1CC2CN(CC2CCCCC2)C1)c1ccncc1.

What is the InChIKey of N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide?

The InChIKey is LPZGYHUFCMDGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-23(19-8-10-25-11-9-19)26-21-6-7-22-20-12-18(15-28(22)24(21)30)14-27(16-20)13-17-4-2-1-3-5-17/h6-11,17-18,20H,1-5,12-16H2,(H,26,29).

What are the key properties of N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide?

N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 3719823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).