N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H19F3N2O3 — CID 24607141

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H19F3N2O3/c1-12-3-5-15(25-2)13(9-12)7-8-22-17(24)14-4-6-16(23-10-14)26-11-18(19,20)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyRFQMVANXJWYQQL-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 24607141) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID24607141
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H19F3N2O3/c1-12-3-5-15(25-2)13(9-12)7-8-22-17(24)14-4-6-16(23-10-14)26-11-18(19,20)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyRFQMVANXJWYQQL-UHFFFAOYSA-N
XLogP3.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46603471
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46446596
N-[2-[6-fluoro-2-(2-methoxypyrimidin-5-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71456413
3-bromo-4-hydroxy-5-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 24550494
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9050026
N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9049975

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 24607141) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is COc1ccc(C)cc1CCNC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is RFQMVANXJWYQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-12-3-5-15(25-2)13(9-12)7-8-22-17(24)14-4-6-16(23-10-14)26-11-18(19,20)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 24607141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).