N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide

C20H23N3O3 — CID 167790207

IUPACN-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(C(=O)NC3CCC4CC3CN4)nc2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-15-3-5-16(6-4-15)26-17-7-9-19(22-12-17)20(24)23-18-8-2-14-10-13(18)11-21-14/h3-7,9,12-14,18,21H,2,8,10-11H2,1H3,(H,23,24)
InChIKeyOAFJOHOLWWHWKS-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.75
Rot. Bonds5

About N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide

N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide (PubChem CID 167790207) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide
PubChem CID167790207
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(C(=O)NC3CCC4CC3CN4)nc2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-15-3-5-16(6-4-15)26-17-7-9-19(22-12-17)20(24)23-18-8-2-14-10-13(18)11-21-14/h3-7,9,12-14,18,21H,2,8,10-11H2,1H3,(H,23,24)
InChIKeyOAFJOHOLWWHWKS-UHFFFAOYSA-N
XLogP2.75
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide?
The IUPAC name of N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide (CID 167790207) is N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide is COc1ccc(Oc2ccc(C(=O)NC3CCC4CC3CN4)nc2)cc1.
What is the InChIKey of N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide?
The InChIKey is OAFJOHOLWWHWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-15-3-5-16(6-4-15)26-17-7-9-19(22-12-17)20(24)23-18-8-2-14-10-13(18)11-21-14/h3-7,9,12-14,18,21H,2,8,10-11H2,1H3,(H,23,24).
What are the key properties of N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide?
N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 167790207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).