4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

C21H30ClN3O2 — CID 161190455

IUPAC4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1C[C@@H]3C[C@@H]3C1)C2.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-26-21(15-5-6-23-19(10-15)20(22)25)16-3-2-4-17(21)12-24(11-16)18-8-13-7-14(13)9-18;/h5-6,10,13-14,16-18H,2-4,7-9,11-12H2,1H3,(H2,22,25);1H/t13-,14+,16?,17?,18?,21?;
InChIKeyURKQGLDIAFNSGD-JXNXMAKFSA-N
MW391.94 g/mol
LogP2.97
Rot. Bonds4

About 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (PubChem CID 161190455) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
PubChem CID161190455
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1C[C@@H]3C[C@@H]3C1)C2.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-26-21(15-5-6-23-19(10-15)20(22)25)16-3-2-4-17(21)12-24(11-16)18-8-13-7-14(13)9-18;/h5-6,10,13-14,16-18H,2-4,7-9,11-12H2,1H3,(H2,22,25);1H/t13-,14+,16?,17?,18?,21?;
InChIKeyURKQGLDIAFNSGD-JXNXMAKFSA-N
XLogP2.97
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 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) is 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1C[C@@H]3C[C@@H]3C1)C2.Cl.
What is the InChIKey of 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is URKQGLDIAFNSGD-JXNXMAKFSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c1-26-21(15-5-6-23-19(10-15)20(22)25)16-3-2-4-17(21)12-24(11-16)18-8-13-7-14(13)9-18;/h5-6,10,13-14,16-18H,2-4,7-9,11-12H2,1H3,(H2,22,25);1H/t13-,14+,16?,17?,18?,21?;.
What are the key properties of 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 161190455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).