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

C17H15ClF3N3O4 — CID 55761791

IUPACN-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1NC(C)=O
InChIInChI=1S/C17H15ClF3N3O4/c1-9(25)23-13-6-11(3-4-14(13)27-2)24-15(26)10-5-12(18)16(22-7-10)28-8-17(19,20)21/h3-7H,8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJQLYTGRTVJUDBD-UHFFFAOYSA-N
MW417.77 g/mol
LogP3.90
Rot. Bonds6

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

N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55761791) has the molecular formula C17H15ClF3N3O4 and a molecular weight of 417.77 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55761791
Molecular FormulaC17H15ClF3N3O4
Molecular Weight417.77 g/mol
Exact Mass417.07
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1NC(C)=O
InChIInChI=1S/C17H15ClF3N3O4/c1-9(25)23-13-6-11(3-4-14(13)27-2)24-15(26)10-5-12(18)16(22-7-10)28-8-17(19,20)21/h3-7H,8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJQLYTGRTVJUDBD-UHFFFAOYSA-N
XLogP3.90
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.77
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46485194
5-chloro-N-(3,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55741055
N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292
N-(3-acetamido-4-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24666765
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
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
5-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55763398
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739082
N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 26705416
N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide
CID 24668298

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55761791) is N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is JQLYTGRTVJUDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O4/c1-9(25)23-13-6-11(3-4-14(13)27-2)24-15(26)10-5-12(18)16(22-7-10)28-8-17(19,20)21/h3-7H,8H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 417.77 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55761791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).