5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C17H27N3O2S — CID 123662298

IUPAC5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCCCc1c(N2CCOCC2)nc(SCC)c(C(N)=O)c1C
InChIInChI=1S/C17H27N3O2S/c1-4-6-7-13-12(3)14(15(18)21)17(23-5-2)19-16(13)20-8-10-22-11-9-20/h4-11H2,1-3H3,(H2,18,21)
InChIKeyACAKTTMDNPMISV-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.78
Rot. Bonds7

About 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 123662298) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID123662298
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCCCc1c(N2CCOCC2)nc(SCC)c(C(N)=O)c1C
InChIInChI=1S/C17H27N3O2S/c1-4-6-7-13-12(3)14(15(18)21)17(23-5-2)19-16(13)20-8-10-22-11-9-20/h4-11H2,1-3H3,(H2,18,21)
InChIKeyACAKTTMDNPMISV-UHFFFAOYSA-N
XLogP2.78
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 123662298) is 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is CCCCc1c(N2CCOCC2)nc(SCC)c(C(N)=O)c1C.
What is the InChIKey of 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is ACAKTTMDNPMISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-6-7-13-12(3)14(15(18)21)17(23-5-2)19-16(13)20-8-10-22-11-9-20/h4-11H2,1-3H3,(H2,18,21).
What are the key properties of 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 123662298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).