5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide

C19H21N3O2S — CID 24675134

IUPAC5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide
SMILESCc1nc(SCCOC(C)C)c(C#N)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-13(2)24-9-10-25-19-15(12-20)11-17(14(3)21-19)18(23)22-16-7-5-4-6-8-16/h4-8,11,13H,9-10H2,1-3H3,(H,22,23)
InChIKeyPYQAVSFJCQFESF-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.03
Rot. Bonds7

About 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide

5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide (PubChem CID 24675134) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide
PubChem CID24675134
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide
SMILESCc1nc(SCCOC(C)C)c(C#N)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-13(2)24-9-10-25-19-15(12-20)11-17(14(3)21-19)18(23)22-16-7-5-4-6-8-16/h4-8,11,13H,9-10H2,1-3H3,(H,22,23)
InChIKeyPYQAVSFJCQFESF-UHFFFAOYSA-N
XLogP4.03
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.03
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

5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 30036453
ethyl 5-cyano-2-methyl-6-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 24597686
6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide
CID 42892760
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 18201846
5-acetyl-6-methyl-2-(phenoxymethylsulfanyl)pyridine-3-carbonitrile
CID 912275
2-amino-5-cyano-6-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 25474181
4-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide
CID 2216906
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(2-phenoxyphenyl)acetamide
CID 18171782
2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 36624834
2-amino-5-cyano-6-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 31753049
5-acetyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 18171760
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 18171664

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide (CID 24675134) is 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide is Cc1nc(SCCOC(C)C)c(C#N)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is PYQAVSFJCQFESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13(2)24-9-10-25-19-15(12-20)11-17(14(3)21-19)18(23)22-16-7-5-4-6-8-16/h4-8,11,13H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide?
5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 24675134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).