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

C25H34N6O2 — CID 134804489

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

N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (PubChem CID 134804489) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
• PubChem CID: 134804489
• Molecular Formula: C25H34N6O2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.27
• IUPAC Name: N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
• SMILES: CCN(Cc1cnn(CC)c1)C(=O)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1
• InChI: InChI=1S/C25H34N6O2/c1-3-28(14-19-11-27-30(4-2)15-19)25(33)20-8-9-23(26-12-20)29-13-18-10-21(17-29)22-6-5-7-24(32)31(22)16-18/h8-9,11-12,15,18,21-22H,3-7,10,13-14,16-17H2,1-2H3/t18?,21?,22-/m1/s1
• InChIKey: POIKRUXEYGQAAB-FQUBMZHMSA-N
• XLogP: 2.80
• TPSA: 74.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (CID 134804489) is N-ethyl-N-[(1-ethylpyrazol-4-yl)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-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?

The canonical SMILES for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is CCN(Cc1cnn(CC)c1)C(=O)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1.

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

The InChIKey is POIKRUXEYGQAAB-FQUBMZHMSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-3-28(14-19-11-27-30(4-2)15-19)25(33)20-8-9-23(26-12-20)29-13-18-10-21(17-29)22-6-5-7-24(32)31(22)16-18/h8-9,11-12,15,18,21-22H,3-7,10,13-14,16-17H2,1-2H3/t18?,21?,22-/m1/s1.

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

N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134804489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).