N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

C18H18ClN3O2 — CID 18273873

IUPACN-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C18H18ClN3O2/c1-10-4-5-13(19)8-16(10)22-17(23)7-6-14-11(2)15(9-20)18(24)21-12(14)3/h4-5,8H,6-7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYOLISPNHUBUQDF-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.40
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 18273873) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID18273873
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C18H18ClN3O2/c1-10-4-5-13(19)8-16(10)22-17(23)7-6-14-11(2)15(9-20)18(24)21-12(14)3/h4-5,8H,6-7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYOLISPNHUBUQDF-UHFFFAOYSA-N
XLogP3.40
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 86857878
N-[1-(4-chlorophenyl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 17420582
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829818
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 55382076
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
CID 46520113
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 7598664
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003492
2-(4-chlorophenoxy)ethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784231
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784405
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784092
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 18275387
N-[1-(3-chlorophenyl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
CID 55580062

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (CID 18273873) is N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is YOLISPNHUBUQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-10-4-5-13(19)8-16(10)22-17(23)7-6-14-11(2)15(9-20)18(24)21-12(14)3/h4-5,8H,6-7H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 343.81 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 18273873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).