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

C22H27N3O3 — CID 109215694

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C22H27N3O3/c1-16(2)18-5-3-4-6-19(18)24-21(26)20-15-17(7-10-23-20)25-11-8-22(9-12-25)27-13-14-28-22/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,24,26)
InChIKeyKBNAWVBQCBPCNU-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.80
Rot. Bonds4

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

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109215694) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109215694
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C22H27N3O3/c1-16(2)18-5-3-4-6-19(18)24-21(26)20-15-17(7-10-23-20)25-11-8-22(9-12-25)27-13-14-28-22/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,24,26)
InChIKeyKBNAWVBQCBPCNU-UHFFFAOYSA-N
XLogP3.80
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215699
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109331809
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109203286
N-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215720
N-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215686
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109215730
N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212686
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide
CID 108985990
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215731

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109215694) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccccc1NC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is KBNAWVBQCBPCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)18-5-3-4-6-19(18)24-21(26)20-15-17(7-10-23-20)25-11-8-22(9-12-25)27-13-14-28-22/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,24,26).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109215694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).