N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide

C19H19N3O3S — CID 1352246

IUPACN-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2cccc(C(C)=O)c2)c1C#N
InChIInChI=1S/C19H19N3O3S/c1-12-7-15(10-25-3)17(9-20)19(21-12)26-11-18(24)22-16-6-4-5-14(8-16)13(2)23/h4-8H,10-11H2,1-3H3,(H,22,24)
InChIKeyNMRPNIFFPQZFBT-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.34
Rot. Bonds7

About N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide

N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide (PubChem CID 1352246) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
PubChem CID1352246
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2cccc(C(C)=O)c2)c1C#N
InChIInChI=1S/C19H19N3O3S/c1-12-7-15(10-25-3)17(9-20)19(21-12)26-11-18(24)22-16-6-4-5-14(8-16)13(2)23/h4-8H,10-11H2,1-3H3,(H,22,24)
InChIKeyNMRPNIFFPQZFBT-UHFFFAOYSA-N
XLogP3.34
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide with MolForge

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Related Compounds

Ethyl 3-cyano-6-methyl-2-[(4-methylphenyl)thio]isonicotinate
CID 2743025
2-(3-Cyano-4-methoxymethyl-6-methyl-pyridin-2-ylsulfanyl)-N-o-tolyl-acetamide
CID 655184
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
CID 755828
(3-Cyano-6-methyl-4-phenyl-5-phenylcarbamoyl-pyridin-2-ylsulfanyl)-acetic acid benzyl ester
CID 1119227
2-[[3-Cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]ethyl-dimethyl-[2-(3-methylanilino)-2-oxoethyl]azanium chloride
CID 16193319
4-(Methoxymethyl)-6-methyl-2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]thio}nicotinonitrile
CID 135472816
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]thio}-N-(2,3-dimethylphenyl)acetamide
CID 1804684
Ethyl 3-cyano-6-methyl-2-(phenylthio)isonicotinate
CID 2743024
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
CID 659618
Ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-phenylnicotinate
CID 990726
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]thio}ethyl)-N,N-dimethyl-2-oxo-2-phenylethanaminium
CID 16187524
Ethyl 2-(allylthio)-3-cyano-6-methylisonicotinate
CID 2726219

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide (CID 1352246) is N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide is COCc1cc(C)nc(SCC(=O)Nc2cccc(C(C)=O)c2)c1C#N.
What is the InChIKey of N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is NMRPNIFFPQZFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-7-15(10-25-3)17(9-20)19(21-12)26-11-18(24)22-16-6-4-5-14(8-16)13(2)23/h4-8H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide?
N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 1352246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).