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

C21H24F3N3O3 — CID 147423680

IUPAC2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cc(C)c(OCC(F)(F)F)cn2)cc(CC(=O)C(C)C)n1
InChIInChI=1S/C21H24F3N3O3/c1-12(2)18(28)8-16-7-15(6-14(4)27-16)20(29)26-9-17-5-13(3)19(10-25-17)30-11-21(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3,(H,26,29)
InChIKeyDSZGLKGPAVCFNJ-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.73
Rot. Bonds8

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

2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 147423680) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID147423680
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cc(C)c(OCC(F)(F)F)cn2)cc(CC(=O)C(C)C)n1
InChIInChI=1S/C21H24F3N3O3/c1-12(2)18(28)8-16-7-15(6-14(4)27-16)20(29)26-9-17-5-13(3)19(10-25-17)30-11-21(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3,(H,26,29)
InChIKeyDSZGLKGPAVCFNJ-UHFFFAOYSA-N
XLogP3.73
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(2-methylpropanoylamino)-N-[[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67511532
N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 159982999
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 147481344
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
CID 159507853
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 161266007
N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 161085351
2-(3-methyl-2-oxobutyl)-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 149184622
N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide
CID 158079738
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158102449
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158217670
N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509658
2-(3-methyl-2-oxobutyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 160568644

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide (CID 147423680) is 2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cc(C)c(OCC(F)(F)F)cn2)cc(CC(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is DSZGLKGPAVCFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-12(2)18(28)8-16-7-15(6-14(4)27-16)20(29)26-9-17-5-13(3)19(10-25-17)30-11-21(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3,(H,26,29).
What are the key properties of 2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide?
2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 147423680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).