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

C22H22N4O2S — CID 23093837

IUPACN-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1
InChIInChI=1S/C22H22N4O2S/c1-14-9-15(2)11-17(10-14)26-20(27)18-5-4-7-25-22(18)29-13-16-6-8-24-19(12-16)21(28)23-3/h4-12H,13H2,1-3H3,(H,23,28)(H,26,27)
InChIKeyYIFZJBIBLZAPAO-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.00
Rot. Bonds6

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

N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide (PubChem CID 23093837) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
PubChem CID23093837
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1
InChIInChI=1S/C22H22N4O2S/c1-14-9-15(2)11-17(10-14)26-20(27)18-5-4-7-25-22(18)29-13-16-6-8-24-19(12-16)21(28)23-3/h4-12H,13H2,1-3H3,(H,23,28)(H,26,27)
InChIKeyYIFZJBIBLZAPAO-UHFFFAOYSA-N
XLogP4.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide with MolForge

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Related Compounds

7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-7-carboxamide
CID 23527337
2-(2-Acetylaminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11188964
N~2~,N~5~-bis(3-methylphenyl)-2,5-pyridinedicarboxamide
CID 840354
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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide (CID 23093837) is N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide is CNC(=O)c1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is YIFZJBIBLZAPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-9-15(2)11-17(10-14)26-20(27)18-5-4-7-25-22(18)29-13-16-6-8-24-19(12-16)21(28)23-3/h4-12H,13H2,1-3H3,(H,23,28)(H,26,27).
What are the key properties of N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamoyl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 23093837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).