6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile

C18H23N3O2S — CID 99116071

IUPAC6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile
SMILESCC[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@@H](C)O1
InChIInChI=1S/C18H23N3O2S/c1-4-13-10-21(9-11(2)23-13)18(22)14-7-16(12-5-6-12)20-17(24-3)15(14)8-19/h7,11-13H,4-6,9-10H2,1-3H3/t11-,13+/m1/s1
InChIKeySUOXEDWXAZCRQT-YPMHNXCESA-N
MW345.47 g/mol
LogP3.19
Rot. Bonds4

About 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile

6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 99116071) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID99116071
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile
SMILESCC[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@@H](C)O1
InChIInChI=1S/C18H23N3O2S/c1-4-13-10-21(9-11(2)23-13)18(22)14-7-16(12-5-6-12)20-17(24-3)15(14)8-19/h7,11-13H,4-6,9-10H2,1-3H3/t11-,13+/m1/s1
InChIKeySUOXEDWXAZCRQT-YPMHNXCESA-N
XLogP3.19
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile with MolForge

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Related Compounds

(3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide
CID 95908219
6-cyclopropyl-2-methylsulfanyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyridine-3-carbonitrile
CID 38631470
6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile
CID 71881969
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 33136416
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 55679796
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 39902934
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(5-bromo-2-methylphenyl)methanone
CID 102937933
3-cyano-6-cyclopropyl-2-methylsulfanyl-N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide
CID 55456578
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)pyridine-4-carboxamide
CID 56585582
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide
CID 55455800
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
CID 46661994
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,5-dihydroxyphenyl)methanone
CID 107726249

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile (CID 99116071) is 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile is CC[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@@H](C)O1.
What is the InChIKey of 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is SUOXEDWXAZCRQT-YPMHNXCESA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-4-13-10-21(9-11(2)23-13)18(22)14-7-16(12-5-6-12)20-17(24-3)15(14)8-19/h7,11-13H,4-6,9-10H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile?
6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 345.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 99116071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).