2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide

C19H20F4N4O4 — CID 175016131

IUPAC2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide
SMILESCOc1nc(OCC(F)(F)F)c(F)cc1CN(C(=O)C(C)C)c1cc(C(N)=O)ccn1
InChIInChI=1S/C19H20F4N4O4/c1-10(2)18(29)27(14-7-11(15(24)28)4-5-25-14)8-12-6-13(20)17(26-16(12)30-3)31-9-19(21,22)23/h4-7,10H,8-9H2,1-3H3,(H2,24,28)
InChIKeyOMDFJHZOTNNLDQ-UHFFFAOYSA-N
MW444.39 g/mol
LogP2.85
Rot. Bonds8

About 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide

2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide (PubChem CID 175016131) has the molecular formula C19H20F4N4O4 and a molecular weight of 444.39 g/mol. Its IUPAC name is 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide
PubChem CID175016131
Molecular FormulaC19H20F4N4O4
Molecular Weight444.39 g/mol
Exact Mass444.14
IUPAC Name2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide
SMILESCOc1nc(OCC(F)(F)F)c(F)cc1CN(C(=O)C(C)C)c1cc(C(N)=O)ccn1
InChIInChI=1S/C19H20F4N4O4/c1-10(2)18(29)27(14-7-11(15(24)28)4-5-25-14)8-12-6-13(20)17(26-16(12)30-3)31-9-19(21,22)23/h4-7,10H,8-9H2,1-3H3,(H2,24,28)
InChIKeyOMDFJHZOTNNLDQ-UHFFFAOYSA-N
XLogP2.85
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide with MolForge

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Related Compounds

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CID 51083900
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CID 51115025
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CID 53568313
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CID 70756640
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Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide?
The IUPAC name of 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide (CID 175016131) is 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide is COc1nc(OCC(F)(F)F)c(F)cc1CN(C(=O)C(C)C)c1cc(C(N)=O)ccn1.
What is the InChIKey of 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide?
The InChIKey is OMDFJHZOTNNLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O4/c1-10(2)18(29)27(14-7-11(15(24)28)4-5-25-14)8-12-6-13(20)17(26-16(12)30-3)31-9-19(21,22)23/h4-7,10H,8-9H2,1-3H3,(H2,24,28).
What are the key properties of 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide?
2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide has a molecular weight of 444.39 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 175016131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).