4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

C21H32ClN3O3 — CID 159706606

About 4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (PubChem CID 159706606) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is 4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 159706606
• Molecular Formula: C21H32ClN3O3
• Molecular Weight: 409.96 g/mol
• Exact Mass: 409.21
• IUPAC Name: 4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
• SMILES: COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C[C@@H]1CCCCO1)C2.Cl
• InChI: InChI=1S/C21H31N3O3.ClH/c1-26-21(15-8-9-23-19(11-15)20(22)25)16-5-4-6-17(21)13-24(12-16)14-18-7-2-3-10-27-18;/h8-9,11,16-18H,2-7,10,12-14H2,1H3,(H2,22,25);1H/t16?,17?,18-,21?;/m0./s1
• InChIKey: COSGMTBSCOGLQC-AFEMZXPMSA-N
• XLogP: 2.74
• TPSA: 77.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.96
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (CID 159706606) is 4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.

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

The canonical SMILES for 4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C[C@@H]1CCCCO1)C2.Cl.

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

The InChIKey is COSGMTBSCOGLQC-AFEMZXPMSA-N. The full InChI is InChI=1S/C21H31N3O3.ClH/c1-26-21(15-8-9-23-19(11-15)20(22)25)16-5-4-6-17(21)13-24(12-16)14-18-7-2-3-10-27-18;/h8-9,11,16-18H,2-7,10,12-14H2,1H3,(H2,22,25);1H/t16?,17?,18-,21?;/m0./s1.

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

4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 159706606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).