N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide

C16H15N3OS — CID 15743749

IUPACN-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C16H15N3OS/c1-10-8-11(2)18-16(15(10)9-17)21-14-6-4-13(5-7-14)19-12(3)20/h4-8H,1-3H3,(H,19,20)
InChIKeyWEVRPNAISPINEQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.68
Rot. Bonds3

About N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide

N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide (PubChem CID 15743749) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide
PubChem CID15743749
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C16H15N3OS/c1-10-8-11(2)18-16(15(10)9-17)21-14-6-4-13(5-7-14)19-12(3)20/h4-8H,1-3H3,(H,19,20)
InChIKeyWEVRPNAISPINEQ-UHFFFAOYSA-N
XLogP3.68
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)sulfanyl]phenyl]acetamide
CID 81042138
N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 609573
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554315
2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 104590981
4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoic acid
CID 2393766
N-(4-cyano-3,5-dimethylphenyl)acetamide
CID 171976448
methyl 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
CID 1117459
(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 7761820
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 690403
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(3-iodophenyl)acetamide
CID 41432808
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 18208060
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 31235022

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide (CID 15743749) is N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(Sc2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide?
The InChIKey is WEVRPNAISPINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-8-11(2)18-16(15(10)9-17)21-14-6-4-13(5-7-14)19-12(3)20/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide?
N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 15743749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).