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

C18H28ClN3O2 — CID 139368043

IUPAC4-[(1S,5R)-9-methoxy-3-propan-2-yl-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)C)C2.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12(2)21-10-14-5-4-6-15(11-21)18(14,23-3)13-7-8-20-16(9-13)17(19)22;/h7-9,12,14-15H,4-6,10-11H2,1-3H3,(H2,19,22);1H/t14-,15+,18?;
InChIKeyZGZCKLZEFKPWJL-FHNZKSGLSA-N
MW353.89 g/mol
LogP2.58
Rot. Bonds4

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

4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (PubChem CID 139368043) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
PubChem CID139368043
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name4-[(1S,5R)-9-methoxy-3-propan-2-yl-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)C)C2.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12(2)21-10-14-5-4-6-15(11-21)18(14,23-3)13-7-8-20-16(9-13)17(19)22;/h7-9,12,14-15H,4-6,10-11H2,1-3H3,(H2,19,22);1H/t14-,15+,18?;
InChIKeyZGZCKLZEFKPWJL-FHNZKSGLSA-N
XLogP2.58
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride (CID 139368043) is 4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[(1S,5R)-9-methoxy-3-propan-2-yl-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)C)C2.Cl.
What is the InChIKey of 4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is ZGZCKLZEFKPWJL-FHNZKSGLSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-12(2)21-10-14-5-4-6-15(11-21)18(14,23-3)13-7-8-20-16(9-13)17(19)22;/h7-9,12,14-15H,4-6,10-11H2,1-3H3,(H2,19,22);1H/t14-,15+,18?;.
What are the key properties of 4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride?
4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 139368043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).