2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C20H33N3O2S — CID 67286966

IUPAC2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCCCCCCNC(=O)c1c(C)cc(N2CCOCC2)nc1SCC
InChIInChI=1S/C20H33N3O2S/c1-4-6-7-8-9-10-21-19(24)18-16(3)15-17(22-20(18)26-5-2)23-11-13-25-14-12-23/h15H,4-14H2,1-3H3,(H,21,24)
InChIKeyGMARZIPXBAODBI-UHFFFAOYSA-N
MW379.57 g/mol
LogP4.04
Rot. Bonds10

About 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 67286966) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID67286966
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC Name2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCCCCCCNC(=O)c1c(C)cc(N2CCOCC2)nc1SCC
InChIInChI=1S/C20H33N3O2S/c1-4-6-7-8-9-10-21-19(24)18-16(3)15-17(22-20(18)26-5-2)23-11-13-25-14-12-23/h15H,4-14H2,1-3H3,(H,21,24)
InChIKeyGMARZIPXBAODBI-UHFFFAOYSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963160
2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287463
2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963517
2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 67287002
2-ethylsulfanyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67289352
2-ethylsulfanyl-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286799
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
CID 70816831
2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 70816934
N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67288271
2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
CID 67286792
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide
CID 67287567

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 67286966) is 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is CCCCCCCNC(=O)c1c(C)cc(N2CCOCC2)nc1SCC.
What is the InChIKey of 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is GMARZIPXBAODBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-4-6-7-8-9-10-21-19(24)18-16(3)15-17(22-20(18)26-5-2)23-11-13-25-14-12-23/h15H,4-14H2,1-3H3,(H,21,24).
What are the key properties of 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 379.57 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 67286966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).