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

C21H25N3O3 — CID 109174046

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(N3CCC4(CC3)OCCO4)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-16-3-5-18(6-4-16)23-20(25)17-7-10-22-19(15-17)24-11-8-21(9-12-24)26-13-14-27-21/h3-7,10,15H,2,8-9,11-14H2,1H3,(H,23,25)
InChIKeyAEHFAXNDHAPMJL-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.24
Rot. Bonds4

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

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide (PubChem CID 109174046) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide
PubChem CID109174046
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(N3CCC4(CC3)OCCO4)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-16-3-5-18(6-4-16)23-20(25)17-7-10-22-19(15-17)24-11-8-21(9-12-24)26-13-14-27-21/h3-7,10,15H,2,8-9,11-14H2,1H3,(H,23,25)
InChIKeyAEHFAXNDHAPMJL-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109174068
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-4-carboxamide
CID 109174043
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261697
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
methyl 4-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109123556
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide (CID 109174046) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide is CCc1ccc(NC(=O)c2ccnc(N3CCC4(CC3)OCCO4)c2)cc1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide?
The InChIKey is AEHFAXNDHAPMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-16-3-5-18(6-4-16)23-20(25)17-7-10-22-19(15-17)24-11-8-21(9-12-24)26-13-14-27-21/h3-7,10,15H,2,8-9,11-14H2,1H3,(H,23,25).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-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 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109174046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).