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

C21H25N3O3 — CID 109238070

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C21H25N3O3/c1-2-16-5-3-4-6-19(16)23-20(25)17-13-18(15-22-14-17)24-9-7-21(8-10-24)26-11-12-27-21/h3-6,13-15H,2,7-12H2,1H3,(H,23,25)
InChIKeyNFHFVXRKMIFXHB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.24
Rot. Bonds4

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

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide (PubChem CID 109238070) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide
PubChem CID109238070
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C21H25N3O3/c1-2-16-5-3-4-6-19(16)23-20(25)17-13-18(15-22-14-17)24-9-7-21(8-10-24)26-11-12-27-21/h3-6,13-15H,2,7-12H2,1H3,(H,23,25)
InChIKeyNFHFVXRKMIFXHB-UHFFFAOYSA-N
XLogP3.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109238094
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223215
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
N-(1,3-benzodioxol-5-ylmethyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109234579
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723
N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
3-N-(3-chlorophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108469
2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone
CID 109238062
5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109101623
N-(2-ethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229652
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide (CID 109238070) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1cncc(N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is NFHFVXRKMIFXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-16-5-3-4-6-19(16)23-20(25)17-13-18(15-22-14-17)24-9-7-21(8-10-24)26-11-12-27-21/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-ethylphenyl)pyridine-3-carboxamide?
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109238070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).