6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide

C21H25N3O4 — CID 109160004

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C21H25N3O4/c1-15-3-5-18(26-2)17(13-15)23-20(25)16-4-6-19(22-14-16)24-9-7-21(8-10-24)27-11-12-28-21/h3-6,13-14H,7-12H2,1-2H3,(H,23,25)
InChIKeyOZBVWEMQALVVMY-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.99
Rot. Bonds4

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide (PubChem CID 109160004) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
PubChem CID109160004
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C21H25N3O4/c1-15-3-5-18(26-2)17(13-15)23-20(25)16-4-6-19(22-14-16)24-9-7-21(8-10-24)27-11-12-28-21/h3-6,13-14H,7-12H2,1-2H3,(H,23,25)
InChIKeyOZBVWEMQALVVMY-UHFFFAOYSA-N
XLogP2.99
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372889
methyl 3-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]amino]benzoate
CID 109160015
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109160028
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]methanone
CID 109261615
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992
6-imidazol-1-yl-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 35375174
N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109193937
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108978537
N-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152557
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159986
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79026576

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide (CID 109160004) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The InChIKey is OZBVWEMQALVVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15-3-5-18(26-2)17(13-15)23-20(25)16-4-6-19(22-14-16)24-9-7-21(8-10-24)27-11-12-28-21/h3-6,13-14H,7-12H2,1-2H3,(H,23,25).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109160004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).