N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

C26H36N6O2 — CID 134804206

About N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 134804206) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
• PubChem CID: 134804206
• Molecular Formula: C26H36N6O2
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.29
• IUPAC Name: N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
• SMILES: Cc1nn(C)c(C)c1CCN(C)C(=O)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1
• InChI: InChI=1S/C26H36N6O2/c1-17-22(18(2)30(4)28-17)10-11-29(3)26(34)20-8-9-24(27-13-20)31-14-19-12-21(16-31)23-6-5-7-25(33)32(23)15-19/h8-9,13,19,21,23H,5-7,10-12,14-16H2,1-4H3/t19?,21?,23-/m1/s1
• InChIKey: NDYFNAIBFSGYMZ-POOLCLQXSA-N
• XLogP: 2.58
• TPSA: 74.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?

The IUPAC name of N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (CID 134804206) is N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is Cc1nn(C)c(C)c1CCN(C)C(=O)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1.

What is the InChIKey of N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?

The InChIKey is NDYFNAIBFSGYMZ-POOLCLQXSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-17-22(18(2)30(4)28-17)10-11-29(3)26(34)20-8-9-24(27-13-20)31-14-19-12-21(16-31)23-6-5-7-25(33)32(23)15-19/h8-9,13,19,21,23H,5-7,10-12,14-16H2,1-4H3/t19?,21?,23-/m1/s1.

What are the key properties of N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?

N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 134804206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).