4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

C18H25ClN6O2 — CID 162311821

About 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (PubChem CID 162311821) has the molecular formula C18H25ClN6O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 162311821
• Molecular Formula: C18H25ClN6O2
• Molecular Weight: 392.89 g/mol
• Exact Mass: 392.17
• IUPAC Name: 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
• SMILES: COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cn[nH]n1)C2.Cl
• InChI: InChI=1S/C18H24N6O2.ClH/c1-26-18(12-5-6-20-16(7-12)17(19)25)13-3-2-4-14(18)10-24(9-13)11-15-8-21-23-22-15;/h5-8,13-14H,2-4,9-11H2,1H3,(H2,19,25)(H,21,22,23);1H
• InChIKey: RQWHCPGAHDYLND-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 110.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.89
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?

The IUPAC name of 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (CID 162311821) is 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cn[nH]n1)C2.Cl.

What is the InChIKey of 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?

The InChIKey is RQWHCPGAHDYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2.ClH/c1-26-18(12-5-6-20-16(7-12)17(19)25)13-3-2-4-14(18)10-24(9-13)11-15-8-21-23-22-15;/h5-8,13-14H,2-4,9-11H2,1H3,(H2,19,25)(H,21,22,23);1H.

What are the key properties of 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?

4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 162311821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).