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

C18H18ClN3O3 — CID 86857878

IUPACN-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(Cl)c1
InChIInChI=1S/C18H18ClN3O3/c1-10-13(11(2)21-18(24)14(10)9-20)5-7-17(23)22-16-6-4-12(25-3)8-15(16)19/h4,6,8H,5,7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyWLVROEVUWIKLMD-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.10
Rot. Bonds5

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

N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 86857878) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID86857878
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(Cl)c1
InChIInChI=1S/C18H18ClN3O3/c1-10-13(11(2)21-18(24)14(10)9-20)5-7-17(23)22-16-6-4-12(25-3)8-15(16)19/h4,6,8H,5,7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyWLVROEVUWIKLMD-UHFFFAOYSA-N
XLogP3.10
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 7598664
N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 18273873
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 55382076
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784198
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829818
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
CID 46520113
2-(4-chlorophenoxy)ethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784231
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 46654987
N-[1-(4-chlorophenyl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 17420582
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 55385450
(2-chlorophenyl) 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 78808908
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 7530470

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (CID 86857878) is N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is WLVROEVUWIKLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-10-13(11(2)21-18(24)14(10)9-20)5-7-17(23)22-16-6-4-12(25-3)8-15(16)19/h4,6,8H,5,7H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 359.81 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 86857878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).