5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

C21H25N3O4 — CID 109238094

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C21H25N3O4/c1-2-26-19-6-4-3-5-18(19)23-20(25)16-13-17(15-22-14-16)24-9-7-21(8-10-24)27-11-12-28-21/h3-6,13-15H,2,7-12H2,1H3,(H,23,25)
InChIKeyOKQWGUHRQJNPSO-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.08
Rot. Bonds5

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109238094) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109238094
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C21H25N3O4/c1-2-26-19-6-4-3-5-18(19)23-20(25)16-13-17(15-22-14-16)24-9-7-21(8-10-24)27-11-12-28-21/h3-6,13-15H,2,7-12H2,1H3,(H,23,25)
InChIKeyOKQWGUHRQJNPSO-UHFFFAOYSA-N
XLogP3.08
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide with MolForge

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Related Compounds

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109238070
N-(2-ethoxyphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227298
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223215
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723
3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101457
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230971
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
5-N-(2-ethoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108895
5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109243078
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109215694

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (CID 109238094) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1cncc(N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is OKQWGUHRQJNPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-26-19-6-4-3-5-18(19)23-20(25)16-13-17(15-22-14-16)24-9-7-21(8-10-24)27-11-12-28-21/h3-6,13-15H,2,7-12H2,1H3,(H,23,25).
What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109238094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).