2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

C21H18N4OS — CID 10362058

IUPAC2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(C#N)c2)c1
InChIInChI=1S/C21H18N4OS/c1-14-8-15(2)10-17(9-14)25-20(26)19-4-3-6-24-21(19)27-13-16-5-7-23-18(11-16)12-22/h3-11H,13H2,1-2H3,(H,25,26)
InChIKeyAJFACIYEQRHMTQ-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.51
Rot. Bonds5

About 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 10362058) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID10362058
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(C#N)c2)c1
InChIInChI=1S/C21H18N4OS/c1-14-8-15(2)10-17(9-14)25-20(26)19-4-3-6-24-21(19)27-13-16-5-7-23-18(11-16)12-22/h3-11H,13H2,1-2H3,(H,25,26)
InChIKeyAJFACIYEQRHMTQ-UHFFFAOYSA-N
XLogP4.51
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SX-517
CID 46897162
2-(2-Acetylaminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11188964
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942
N-(3,5-dimethylphenyl)-2-[(2-methyl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 9975965
N-(3,5-dimethylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 9976097
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
2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 10023225
N-(3,5-Dimethylphenyl)-2-(2-fluoropyridin-4-ylmethylthio)pyridine-3-carboxamide
CID 10067543
2-[(2-chloro-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 10068558
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (CID 10362058) is 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(C#N)c2)c1.
What is the InChIKey of 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is AJFACIYEQRHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14-8-15(2)10-17(9-14)25-20(26)19-4-3-6-24-21(19)27-13-16-5-7-23-18(11-16)12-22/h3-11H,13H2,1-2H3,(H,25,26).
What are the key properties of 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10362058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).