N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide

C21H24F3N3O3 — CID 161266007

IUPACN-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCCc1cc(CNC(=O)c2ccnc(CC(=O)C(C)C)c2)cnc1OCC(F)(F)F
InChIInChI=1S/C21H24F3N3O3/c1-4-15-7-14(11-27-20(15)30-12-21(22,23)24)10-26-19(29)16-5-6-25-17(8-16)9-18(28)13(2)3/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,26,29)
InChIKeyVDERLBQIFWUQMO-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.68
Rot. Bonds9

About N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide

N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide (PubChem CID 161266007) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
PubChem CID161266007
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC NameN-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCCc1cc(CNC(=O)c2ccnc(CC(=O)C(C)C)c2)cnc1OCC(F)(F)F
InChIInChI=1S/C21H24F3N3O3/c1-4-15-7-14(11-27-20(15)30-12-21(22,23)24)10-26-19(29)16-5-6-25-17(8-16)9-18(28)13(2)3/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,26,29)
InChIKeyVDERLBQIFWUQMO-UHFFFAOYSA-N
XLogP3.68
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide
CID 161020422
2-(3-methyl-2-oxobutyl)-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 149184622
2-(3-methyl-2-oxobutyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 160568644
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976
2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 159993414
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 149183035
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[(1-methylcyclopropanecarbonyl)amino]pyridine-4-carboxamide
CID 67509188
N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide
CID 158079738
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The IUPAC name of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide (CID 161266007) is N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide is CCc1cc(CNC(=O)c2ccnc(CC(=O)C(C)C)c2)cnc1OCC(F)(F)F.
What is the InChIKey of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The InChIKey is VDERLBQIFWUQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-4-15-7-14(11-27-20(15)30-12-21(22,23)24)10-26-19(29)16-5-6-25-17(8-16)9-18(28)13(2)3/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,26,29).
What are the key properties of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 161266007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).