N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C21H25N3O4 — CID 121195642

IUPACN-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCOc1ccc(NC(=O)N2C3CCC2CC(Oc2ccccn2)C3)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-26-16-8-9-18(19(13-16)27-2)23-21(25)24-14-6-7-15(24)12-17(11-14)28-20-5-3-4-10-22-20/h3-5,8-10,13-15,17H,6-7,11-12H2,1-2H3,(H,23,25)
InChIKeyUIUGCGRMNSURKZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.71
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121195642) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121195642
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCOc1ccc(NC(=O)N2C3CCC2CC(Oc2ccccn2)C3)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-26-16-8-9-18(19(13-16)27-2)23-21(25)24-14-6-7-15(24)12-17(11-14)28-20-5-3-4-10-22-20/h3-5,8-10,13-15,17H,6-7,11-12H2,1-2H3,(H,23,25)
InChIKeyUIUGCGRMNSURKZ-UHFFFAOYSA-N
XLogP3.71
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247300
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195601
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
(1S,5R)-3-pyridin-2-yloxy-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927555
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
3-pyridin-4-yloxy-N-(3,4,5-trimethoxyphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186664
(1R,9S)-N-(2,4-dimethoxyphenyl)-5-phenyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide
CID 110196722
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129356016
3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121195642) is N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is COc1ccc(NC(=O)N2C3CCC2CC(Oc2ccccn2)C3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UIUGCGRMNSURKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-26-16-8-9-18(19(13-16)27-2)23-21(25)24-14-6-7-15(24)12-17(11-14)28-20-5-3-4-10-22-20/h3-5,8-10,13-15,17H,6-7,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121195642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).