12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide

C27H34N4O5 — CID 110069429

About 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide

12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide (PubChem CID 110069429) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide.

Molecular Properties

• Compound Name: 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide
• PubChem CID: 110069429
• Molecular Formula: C27H34N4O5
• Molecular Weight: 494.59 g/mol
• Exact Mass: 494.25
• IUPAC Name: 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide
• SMILES: CNC(=O)C12CCCCN(C(=O)c3cc(OC)ccn3)CCOc3ccccc3C(=O)N(CC1)CC2
• InChI: InChI=1S/C27H34N4O5/c1-28-26(34)27-10-5-6-14-30(25(33)22-19-20(35-2)9-13-29-22)17-18-36-23-8-4-3-7-21(23)24(32)31(15-11-27)16-12-27/h3-4,7-9,13,19H,5-6,10-12,14-18H2,1-2H3,(H,28,34)
• InChIKey: JYUORWRZURGCJO-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 101.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.59
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide?

The IUPAC name of 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide (CID 110069429) is 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide.

What is the SMILES notation for 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide?

The canonical SMILES for 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide is CNC(=O)C12CCCCN(C(=O)c3cc(OC)ccn3)CCOc3ccccc3C(=O)N(CC1)CC2.

What is the InChIKey of 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide?

The InChIKey is JYUORWRZURGCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-28-26(34)27-10-5-6-14-30(25(33)22-19-20(35-2)9-13-29-22)17-18-36-23-8-4-3-7-21(23)24(32)31(15-11-27)16-12-27/h3-4,7-9,13,19H,5-6,10-12,14-18H2,1-2H3,(H,28,34).

What are the key properties of 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide?

12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4-methoxypyridine-2-carbonyl)-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide is sourced from PubChem (CID 110069429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).