N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide

C14H11N3OS — CID 2769235

IUPACN-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C14H11N3OS/c1-19-13-5-4-12(7-11(13)8-15)17-14(18)10-3-2-6-16-9-10/h2-7,9H,1H3,(H,17,18)
InChIKeyZXEGGUIJPIDACS-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.93
Rot. Bonds3

About N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide

N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide (PubChem CID 2769235) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide
PubChem CID2769235
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C14H11N3OS/c1-19-13-5-4-12(7-11(13)8-15)17-14(18)10-3-2-6-16-9-10/h2-7,9H,1H3,(H,17,18)
InChIKeyZXEGGUIJPIDACS-UHFFFAOYSA-N
XLogP2.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 668894
N-(3-methylphenyl)pyridine-3-carboxamide
CID 532819
2-(methylthio)-N-(3-pyridinylmethyl)benzamide
CID 1243089
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942
5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-ylbenzamide
CID 2807262
N-(4-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 9997084
N-(3,5-dimethylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 9997962
N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 10337042
N-(3,5-dimethylphenyl)-2-[(2-methylsulfanyl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 10340669
2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 10362058
N-phenyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 10403803

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide (CID 2769235) is N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide is CSc1ccc(NC(=O)c2cccnc2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide?
The InChIKey is ZXEGGUIJPIDACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-19-13-5-4-12(7-11(13)8-15)17-14(18)10-3-2-6-16-9-10/h2-7,9H,1H3,(H,17,18).
What are the key properties of N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide?
N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2769235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).