N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide

C16H16ClN3O2 — CID 155294610

IUPACN-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide
SMILESCC1=C(C#N)CC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1
InChIInChI=1S/C16H16ClN3O2/c1-9-13(17)4-3-5-14(9)20-15(21)7-11-6-12(8-18)10(2)19-16(11)22/h3-5,11H,6-7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZWBLOTGHRFMBRY-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.91
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide (PubChem CID 155294610) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide
PubChem CID155294610
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide
SMILESCC1=C(C#N)CC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1
InChIInChI=1S/C16H16ClN3O2/c1-9-13(17)4-3-5-14(9)20-15(21)7-11-6-12(8-18)10(2)19-16(11)22/h3-5,11H,6-7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZWBLOTGHRFMBRY-UHFFFAOYSA-N
XLogP2.91
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 900615
N-(3-chloro-2-methylphenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2989627
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[(2S,4aR,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 124757862
N-(3-chloro-2-methylphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901864
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 135691951
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-2-[[(4R)-5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1315413
N-(3-chloro-2-methylphenyl)-2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 2941781
N-(3-chloro-2-methylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691582
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide (CID 155294610) is N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide is CC1=C(C#N)CC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide?
The InChIKey is ZWBLOTGHRFMBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-9-13(17)4-3-5-14(9)20-15(21)7-11-6-12(8-18)10(2)19-16(11)22/h3-5,11H,6-7H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide has a molecular weight of 317.78 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide is sourced from PubChem (CID 155294610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).