N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H18F3N3O3 — CID 51320683

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCC(F)(F)F)nc2)cc1
InChIInChI=1S/C18H18F3N3O3/c1-12-3-6-14(7-4-12)23-15(25)10-24(2)17(26)13-5-8-16(22-9-13)27-11-18(19,20)21/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyPRZSSTONXZLRGV-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.04
Rot. Bonds6

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 51320683) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID51320683
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCC(F)(F)F)nc2)cc1
InChIInChI=1S/C18H18F3N3O3/c1-12-3-6-14(7-4-12)23-15(25)10-24(2)17(26)13-5-8-16(22-9-13)27-11-18(19,20)21/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyPRZSSTONXZLRGV-UHFFFAOYSA-N
XLogP3.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961
tert-butyl N-[4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9374645
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
6-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 27016019
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55742591
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55605846
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide
CID 4030783

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 51320683) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCC(F)(F)F)nc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PRZSSTONXZLRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-12-3-6-14(7-4-12)23-15(25)10-24(2)17(26)13-5-8-16(22-9-13)27-11-18(19,20)21/h3-9H,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 51320683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).