4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

C20H30ClN3O3 — CID 139367887

IUPAC4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
SMILESCOC1(c2ccnc(C(N)=O)c2)[C@@H]2CCC[C@H]1CN(C[C@H]1CCCO1)C2.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)13-17-6-3-9-26-17;/h7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24);1H/t15-,16+,17-,20?;/m1./s1
InChIKeyFTONZXCWICAUKM-CAQSRDTFSA-N
MW395.93 g/mol
LogP2.35
Rot. Bonds5

About 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (PubChem CID 139367887) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
PubChem CID139367887
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
SMILESCOC1(c2ccnc(C(N)=O)c2)[C@@H]2CCC[C@H]1CN(C[C@H]1CCCO1)C2.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)13-17-6-3-9-26-17;/h7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24);1H/t15-,16+,17-,20?;/m1./s1
InChIKeyFTONZXCWICAUKM-CAQSRDTFSA-N
XLogP2.35
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[9-methoxy-3-[[(2S)-oxan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 159706606
4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 155295648
4-[(1R,5S)-3-(1H-imidazol-2-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368147
4-[(1R,5S)-9-methoxy-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;dihydrochloride
CID 139368237
4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368043
4-[(1R,5S)-3-tert-butyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368244
4-[(1S,5R)-9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139367983
4-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 162311821
4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 161432786
4-[3-(4-fluorooxan-4-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 154622942
4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 161190455
4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide
CID 139383453

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (CID 139367887) is 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is COC1(c2ccnc(C(N)=O)c2)[C@@H]2CCC[C@H]1CN(C[C@H]1CCCO1)C2.Cl.
What is the InChIKey of 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is FTONZXCWICAUKM-CAQSRDTFSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)13-17-6-3-9-26-17;/h7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24);1H/t15-,16+,17-,20?;/m1./s1.
What are the key properties of 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 139367887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).