5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide

C14H19N3O2S — CID 156880706

IUPAC5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(C(C)(C)C#N)cnc1C(=O)N(C)OC
InChIInChI=1S/C14H19N3O2S/c1-6-20-11-7-10(14(2,3)9-15)8-16-12(11)13(18)17(4)19-5/h7-8H,6H2,1-5H3
InChIKeyKDEKFNBCBSQLCJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.63
Rot. Bonds5

About 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide

5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 156880706) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
PubChem CID156880706
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(C(C)(C)C#N)cnc1C(=O)N(C)OC
InChIInChI=1S/C14H19N3O2S/c1-6-20-11-7-10(14(2,3)9-15)8-16-12(11)13(18)17(4)19-5/h7-8H,6H2,1-5H3
InChIKeyKDEKFNBCBSQLCJ-UHFFFAOYSA-N
XLogP2.63
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 129177672
5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)pyridin-4-yl]pyridine-2-carboxamide
CID 134466773
N-[(1E,3Z)-2-amino-5,5,5-trifluoro-4-(hydroxyamino)-1-methoxypenta-1,3-dienyl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 134466777
3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide
CID 134502722
N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 141761440
N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 146272298
1-[5-Ethylsulfanyl-6-[2-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]acetyl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 159232118
3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide
CID 59562406
[(3-Benzylsulfanylpyridine-2-carbonyl)amino] propanoate
CID 88810028
2-(6-Acetyl-5-ethylsulfonyl-3-pyridinyl)acetonitrile
CID 121320691
1-(6-Acetyl-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile
CID 121320704
2-(5-Ethylsulfanyl-6-formyl-3-pyridinyl)acetonitrile
CID 135130223

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide (CID 156880706) is 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide is CCSc1cc(C(C)(C)C#N)cnc1C(=O)N(C)OC.
What is the InChIKey of 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is KDEKFNBCBSQLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-6-20-11-7-10(14(2,3)9-15)8-16-12(11)13(18)17(4)19-5/h7-8H,6H2,1-5H3.
What are the key properties of 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide?
5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 156880706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).