N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide

C19H18ClF3N2O2 — CID 149183035

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCC(C)C(=O)Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2Cl)ccn1
InChIInChI=1S/C19H18ClF3N2O2/c1-11(2)16(26)9-14-8-12(6-7-24-14)18(27)25-10-13-4-3-5-15(17(13)20)19(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,25,27)
InChIKeyXBIGGWFVPGSGAA-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.45
Rot. Bonds6

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide (PubChem CID 149183035) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
PubChem CID149183035
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCC(C)C(=O)Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2Cl)ccn1
InChIInChI=1S/C19H18ClF3N2O2/c1-11(2)16(26)9-14-8-12(6-7-24-14)18(27)25-10-13-4-3-5-15(17(13)20)19(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,25,27)
InChIKeyXBIGGWFVPGSGAA-UHFFFAOYSA-N
XLogP4.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-2-oxobutyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 160568644
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159933164
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 161266007
2-(3-methyl-2-oxobutyl)-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 149184622
2-acetamido-N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509581
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;pyridine-4-carboxamide
CID 174687552
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510384
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2-fluoroethyl)urea
CID 25119147
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 83295681
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide (CID 149183035) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide is CC(C)C(=O)Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2Cl)ccn1.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The InChIKey is XBIGGWFVPGSGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-11(2)16(26)9-14-8-12(6-7-24-14)18(27)25-10-13-4-3-5-15(17(13)20)19(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,25,27).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide has a molecular weight of 398.81 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 149183035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).