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

C17H16F4N4O3 — CID 67509106

IUPAC2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cc(F)c(OCC(F)(F)F)nc2C)ccn1
InChIInChI=1S/C17H16F4N4O3/c1-9-12(5-13(18)16(24-9)28-8-17(19,20)21)7-23-15(27)11-3-4-22-14(6-11)25-10(2)26/h3-6H,7-8H2,1-2H3,(H,23,27)(H,22,25,26)
InChIKeyKMUXZSGRTLJCPB-UHFFFAOYSA-N
MW400.33 g/mol
LogP2.75
Rot. Bonds6

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

2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 67509106) has the molecular formula C17H16F4N4O3 and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID67509106
Molecular FormulaC17H16F4N4O3
Molecular Weight400.33 g/mol
Exact Mass400.12
IUPAC Name2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cc(F)c(OCC(F)(F)F)nc2C)ccn1
InChIInChI=1S/C17H16F4N4O3/c1-9-12(5-13(18)16(24-9)28-8-17(19,20)21)7-23-15(27)11-3-4-22-14(6-11)25-10(2)26/h3-6H,7-8H2,1-2H3,(H,23,27)(H,22,25,26)
InChIKeyKMUXZSGRTLJCPB-UHFFFAOYSA-N
XLogP2.75
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-N-[[5-fluoro-2-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
2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047
2-acetamido-N-[1-[5-(iodomethyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 69087823
2-acetamido-N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509581
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67509804
2-acetamido-N-[[5-cyclohexa-1,5-dien-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 162566267
2-(2-methylpropanoylamino)-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509985
2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67509879
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-(2-methylphenyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 162566269
2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide
CID 87426496
2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509894

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 67509106) is 2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NCc2cc(F)c(OCC(F)(F)F)nc2C)ccn1.
What is the InChIKey of 2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is KMUXZSGRTLJCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O3/c1-9-12(5-13(18)16(24-9)28-8-17(19,20)21)7-23-15(27)11-3-4-22-14(6-11)25-10(2)26/h3-6H,7-8H2,1-2H3,(H,23,27)(H,22,25,26).
What are the key properties of 2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 400.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67509106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).