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

C20H23F3N4O3 — CID 67510188

IUPACN-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCCc1cc(CNC(=O)c2ccnc(NC(=O)C(C)C)c2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H23F3N4O3/c1-4-14-7-13(10-26-19(14)30-11-20(21,22)23)9-25-18(29)15-5-6-24-16(8-15)27-17(28)12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,25,29)(H,24,27,28)
InChIKeySDTNCNYMFBIXQW-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.50
Rot. Bonds8

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

N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 67510188) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
PubChem CID67510188
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC NameN-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCCc1cc(CNC(=O)c2ccnc(NC(=O)C(C)C)c2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H23F3N4O3/c1-4-14-7-13(10-26-19(14)30-11-20(21,22)23)9-25-18(29)15-5-6-24-16(8-15)27-17(28)12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,25,29)(H,24,27,28)
InChIKeySDTNCNYMFBIXQW-UHFFFAOYSA-N
XLogP3.50
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 161266007
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67508766
2-(2-methylpropanoylamino)-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509985
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976
N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509658
2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 162566186
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[(1-methylcyclopropanecarbonyl)amino]pyridine-4-carboxamide
CID 67509188
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510384
N-[[4-(2,2-difluorobutoxy)-3-methoxyphenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566329
2-acetamido-N-[[5-cyclohexa-1,5-dien-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 162566267

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 67510188) is N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is CCc1cc(CNC(=O)c2ccnc(NC(=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-(2-methylpropanoylamino)pyridine-4-carboxamide?
The InChIKey is SDTNCNYMFBIXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-4-14-7-13(10-26-19(14)30-11-20(21,22)23)9-25-18(29)15-5-6-24-16(8-15)27-17(28)12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,25,29)(H,24,27,28).
What are the key properties of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 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-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 67510188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).