N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide

C25H30N4O3 — CID 134804617

About N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (PubChem CID 134804617) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
• PubChem CID: 134804617
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
• SMILES: COc1ccccc1CNC(=O)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1
• InChI: InChI=1S/C25H30N4O3/c1-32-22-7-3-2-5-18(22)12-27-25(31)19-9-10-23(26-13-19)28-14-17-11-20(16-28)21-6-4-8-24(30)29(21)15-17/h2-3,5,7,9-10,13,17,20-21H,4,6,8,11-12,14-16H2,1H3,(H,27,31)/t17?,20?,21-/m1/s1
• InChIKey: TWVUEHIASCIESN-FBPXKMNZSA-N
• XLogP: 2.86
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (CID 134804617) is N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?

The InChIKey is TWVUEHIASCIESN-FBPXKMNZSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-32-22-7-3-2-5-18(22)12-27-25(31)19-9-10-23(26-13-19)28-14-17-11-20(16-28)21-6-4-8-24(30)29(21)15-17/h2-3,5,7,9-10,13,17,20-21H,4,6,8,11-12,14-16H2,1H3,(H,27,31)/t17?,20?,21-/m1/s1.

What are the key properties of N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?

N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134804617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).