N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H12Cl2F3N3O3 — CID 46485194

IUPACN-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H12Cl2F3N3O3/c1-8(25)23-13-3-2-10(5-11(13)17)24-14(26)9-4-12(18)15(22-6-9)27-7-16(19,20)21/h2-6H,7H2,1H3,(H,23,25)(H,24,26)
InChIKeyRVSFFFXDKZIAPV-UHFFFAOYSA-N
MW422.19 g/mol
LogP4.54
Rot. Bonds5

About N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 46485194) has the molecular formula C16H12Cl2F3N3O3 and a molecular weight of 422.19 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID46485194
Molecular FormulaC16H12Cl2F3N3O3
Molecular Weight422.19 g/mol
Exact Mass421.02
IUPAC NameN-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H12Cl2F3N3O3/c1-8(25)23-13-3-2-10(5-11(13)17)24-14(26)9-4-12(18)15(22-6-9)27-7-16(19,20)21/h2-6H,7H2,1H3,(H,23,25)(H,24,26)
InChIKeyRVSFFFXDKZIAPV-UHFFFAOYSA-N
XLogP4.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.19
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55761791
5-chloro-N-(3,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55741055
5-chloro-N-(2,6-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55752771
5-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55791037
5-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55763398
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 46687715
5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55801663
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55801465
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739738

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 46485194) is N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is RVSFFFXDKZIAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3N3O3/c1-8(25)23-13-3-2-10(5-11(13)17)24-14(26)9-4-12(18)15(22-6-9)27-7-16(19,20)21/h2-6H,7H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 422.19 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 46485194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).