N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

C18H15ClF3N3O2 — CID 55382076

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H15ClF3N3O2/c1-9-12(10(2)24-17(27)13(9)8-23)4-6-16(26)25-11-3-5-15(19)14(7-11)18(20,21)22/h3,5,7H,4,6H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYPTYCLLJICESTH-UHFFFAOYSA-N
MW397.78 g/mol
LogP4.11
Rot. Bonds4

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 55382076) has the molecular formula C18H15ClF3N3O2 and a molecular weight of 397.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID55382076
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.78 g/mol
Exact Mass397.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H15ClF3N3O2/c1-9-12(10(2)24-17(27)13(9)8-23)4-6-16(26)25-11-3-5-15(19)14(7-11)18(20,21)22/h3,5,7H,4,6H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYPTYCLLJICESTH-UHFFFAOYSA-N
XLogP4.11
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
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CID 47829818
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
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N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
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3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 46563604
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3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide
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CID 2287537
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 78808574
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (CID 55382076) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is YPTYCLLJICESTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2/c1-9-12(10(2)24-17(27)13(9)8-23)4-6-16(26)25-11-3-5-15(19)14(7-11)18(20,21)22/h3,5,7H,4,6H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 397.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 55382076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).