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

C21H23N3O6 — CID 134703144

IUPACN-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)COC(=O)O3)c(OC)c1
InChIInChI=1S/C21H23N3O6/c1-27-14-5-6-16(17(12-14)28-2)23-19(25)15-4-3-9-22-18(15)24-10-7-21(8-11-24)13-29-20(26)30-21/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,23,25)
InChIKeyIEWJUHJSZCIWBI-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.86
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 134703144) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID134703144
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)COC(=O)O3)c(OC)c1
InChIInChI=1S/C21H23N3O6/c1-27-14-5-6-16(17(12-14)28-2)23-19(25)15-4-3-9-22-18(15)24-10-7-21(8-11-24)13-29-20(26)30-21/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,23,25)
InChIKeyIEWJUHJSZCIWBI-UHFFFAOYSA-N
XLogP2.86
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
N-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619553
N-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215720
N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959514
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46365271
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84574700
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619927
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 134703144) is N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)COC(=O)O3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is IEWJUHJSZCIWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-27-14-5-6-16(17(12-14)28-2)23-19(25)15-4-3-9-22-18(15)24-10-7-21(8-11-24)13-29-20(26)30-21/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134703144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).