5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C17H15Cl2F3N2O3 — CID 55739082

IUPAC5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C17H15Cl2F3N2O3/c1-24(8-11-5-12(18)3-4-14(11)26-2)16(25)10-6-13(19)15(23-7-10)27-9-17(20,21)22/h3-7H,8-9H2,1-2H3
InChIKeyATPPKIRYAKYXTG-UHFFFAOYSA-N
MW423.22 g/mol
LogP4.61
Rot. Bonds6

About 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55739082) has the molecular formula C17H15Cl2F3N2O3 and a molecular weight of 423.22 g/mol. Its IUPAC name is 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55739082
Molecular FormulaC17H15Cl2F3N2O3
Molecular Weight423.22 g/mol
Exact Mass422.04
IUPAC Name5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C17H15Cl2F3N2O3/c1-24(8-11-5-12(18)3-4-14(11)26-2)16(25)10-6-13(19)15(23-7-10)27-9-17(20,21)22/h3-7H,8-9H2,1-2H3
InChIKeyATPPKIRYAKYXTG-UHFFFAOYSA-N
XLogP4.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.22
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47039361
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
CID 112798057
methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 32762970
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 26726400
N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55761791
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 9183059
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
4-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9182996
N-[(5-chloro-2-methoxyphenyl)methyl]-3-cyano-N-methylbenzamide
CID 30857850
5,6-dichloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55329725
5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55854345

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55739082) is 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is COc1ccc(Cl)cc1CN(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ATPPKIRYAKYXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O3/c1-24(8-11-5-12(18)3-4-14(11)26-2)16(25)10-6-13(19)15(23-7-10)27-9-17(20,21)22/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 423.22 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55739082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).