4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

C20H28ClN5O2 — CID 161432786

IUPAC4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cnc(C)[nH]1)C2.Cl
InChIInChI=1S/C20H27N5O2.ClH/c1-13-23-9-17(24-13)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26;/h6-9,15-16H,3-5,10-12H2,1-2H3,(H2,21,26)(H,23,24);1H
InChIKeySLYCMVILJKMCPZ-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.41
Rot. Bonds5

About 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride

4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (PubChem CID 161432786) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
PubChem CID161432786
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cnc(C)[nH]1)C2.Cl
InChIInChI=1S/C20H27N5O2.ClH/c1-13-23-9-17(24-13)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26;/h6-9,15-16H,3-5,10-12H2,1-2H3,(H2,21,26)(H,23,24);1H
InChIKeySLYCMVILJKMCPZ-UHFFFAOYSA-N
XLogP2.41
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 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) is 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cnc(C)[nH]1)C2.Cl.
What is the InChIKey of 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is SLYCMVILJKMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.ClH/c1-13-23-9-17(24-13)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26;/h6-9,15-16H,3-5,10-12H2,1-2H3,(H2,21,26)(H,23,24);1H.
What are the key properties of 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 161432786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).