2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide

C20H18F4N2O2 — CID 160783831

IUPAC2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)cc(CC(=O)C2CC2)n1
InChIInChI=1S/C20H18F4N2O2/c1-11-4-14(7-17(26-11)9-18(27)13-2-3-13)19(28)25-10-12-5-15(20(22,23)24)8-16(21)6-12/h4-8,13H,2-3,9-10H2,1H3,(H,25,28)
InChIKeySAYAZCMCHHSNQD-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.00
Rot. Bonds6

About 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide

2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide (PubChem CID 160783831) has the molecular formula C20H18F4N2O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
PubChem CID160783831
Molecular FormulaC20H18F4N2O2
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC Name2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)cc(CC(=O)C2CC2)n1
InChIInChI=1S/C20H18F4N2O2/c1-11-4-14(7-17(26-11)9-18(27)13-2-3-13)19(28)25-10-12-5-15(20(22,23)24)8-16(21)6-12/h4-8,13H,2-3,9-10H2,1H3,(H,25,28)
InChIKeySAYAZCMCHHSNQD-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 161458996
2-(cyclopropanecarbonylamino)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 67510781
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 149457957
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 157486902
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
CID 159507853
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67511343
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
CID 118772096
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159204879
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158217670

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide (CID 160783831) is 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)cc(CC(=O)C2CC2)n1.
What is the InChIKey of 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide?
The InChIKey is SAYAZCMCHHSNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O2/c1-11-4-14(7-17(26-11)9-18(27)13-2-3-13)19(28)25-10-12-5-15(20(22,23)24)8-16(21)6-12/h4-8,13H,2-3,9-10H2,1H3,(H,25,28).
What are the key properties of 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide?
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide has a molecular weight of 394.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 160783831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).