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

5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 121320697
5-(2-cyanopropan-2-yl)-3-ethylsulfanylpyridine-2-carbonitrile
CID 172625485
2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile
CID 154691480
3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide
CID 118392765
N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 118216707
methyl 5-(1-cyano-2-ethoxy-2-oxoethyl)-3-ethylsulfanylpyridine-2-carboxylate
CID 134466850
5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86715759
5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
CID 133061431
6-ethoxycarbonyl-5-ethylsulfanylpyridine-3-carboxylic acid
CID 122462154
3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 133054949
2-[5-ethylsulfanyl-6-[1-methyl-2-oxo-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 156895221
5-(4-cyanobutyl)-3-ethylsulfanylpyridine-2-carboxylic acid
CID 163238975

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).