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

C18H19F3N4O3 — CID 67509894

IUPAC2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)N(C)Cc2cnc(OCC(F)(F)F)c(C)c2)ccn1
InChIInChI=1S/C18H19F3N4O3/c1-11-6-13(8-23-16(11)28-10-18(19,20)21)9-25(3)17(27)14-4-5-22-15(7-14)24-12(2)26/h4-8H,9-10H2,1-3H3,(H,22,24,26)
InChIKeyGPKDVARKNDOUJV-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.96
Rot. Bonds6

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

2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 67509894) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID67509894
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)N(C)Cc2cnc(OCC(F)(F)F)c(C)c2)ccn1
InChIInChI=1S/C18H19F3N4O3/c1-11-6-13(8-23-16(11)28-10-18(19,20)21)9-25(3)17(27)14-4-5-22-15(7-14)24-12(2)26/h4-8H,9-10H2,1-3H3,(H,22,24,26)
InChIKeyGPKDVARKNDOUJV-UHFFFAOYSA-N
XLogP2.96
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methyl-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 162566103
2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
CID 174836824
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055345
2-acetamido-N-[[5-cyclohexa-1,5-dien-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 162566267
2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509106
2-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 174836388
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
2-acetamido-N-[1-[5-(iodomethyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 69087823
2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67509804
[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate
CID 175338177

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 67509894) is 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)N(C)Cc2cnc(OCC(F)(F)F)c(C)c2)ccn1.
What is the InChIKey of 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is GPKDVARKNDOUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-11-6-13(8-23-16(11)28-10-18(19,20)21)9-25(3)17(27)14-4-5-22-15(7-14)24-12(2)26/h4-8H,9-10H2,1-3H3,(H,22,24,26).
What are the key properties of 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67509894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).