2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

C19H17F3N2O2 — CID 149457957

IUPAC2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(CC(=O)C2CC2)c1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)15-3-1-2-12(8-15)11-24-18(26)14-6-7-23-16(9-14)10-17(25)13-4-5-13/h1-3,6-9,13H,4-5,10-11H2,(H,24,26)
InChIKeyYYYHBEPLOQGSRD-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.55
Rot. Bonds6

About 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 149457957) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID149457957
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(CC(=O)C2CC2)c1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)15-3-1-2-12(8-15)11-24-18(26)14-6-7-23-16(9-14)10-17(25)13-4-5-13/h1-3,6-9,13H,4-5,10-11H2,(H,24,26)
InChIKeyYYYHBEPLOQGSRD-UHFFFAOYSA-N
XLogP3.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide
CID 157131864
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 158894130
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 157486902
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117087020
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 160783831
2-[(1-benzylpiperidin-4-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117093231
2-[3-(dimethylamino)anilino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092673
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 149457957) is 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(CC(=O)C2CC2)c1.
What is the InChIKey of 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is YYYHBEPLOQGSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)15-3-1-2-12(8-15)11-24-18(26)14-6-7-23-16(9-14)10-17(25)13-4-5-13/h1-3,6-9,13H,4-5,10-11H2,(H,24,26).
What are the key properties of 2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 3.55, 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-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 149457957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).