3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide

C21H26F3N3O4 — CID 45239152

IUPAC3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC(c2ccco2)C(F)(F)F)c1=O
InChIInChI=1S/C21H26F3N3O4/c1-12(2)9-26(5)20(30)15-11-27(13(3)4)10-14(17(15)28)19(29)25-18(21(22,23)24)16-7-6-8-31-16/h6-8,10-13,18H,9H2,1-5H3,(H,25,29)
InChIKeyZGTDAIDUJWSCSX-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.78
Rot. Bonds7

About 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide

3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 45239152) has the molecular formula C21H26F3N3O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide
PubChem CID45239152
Molecular FormulaC21H26F3N3O4
Molecular Weight441.45 g/mol
Exact Mass441.19
IUPAC Name3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC(c2ccco2)C(F)(F)F)c1=O
InChIInChI=1S/C21H26F3N3O4/c1-12(2)9-26(5)20(30)15-11-27(13(3)4)10-14(17(15)28)19(29)25-18(21(22,23)24)16-7-6-8-31-16/h6-8,10-13,18H,9H2,1-5H3,(H,25,29)
InChIKeyZGTDAIDUJWSCSX-UHFFFAOYSA-N
XLogP3.78
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide (CID 45239152) is 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide is CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC(c2ccco2)C(F)(F)F)c1=O.
What is the InChIKey of 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is ZGTDAIDUJWSCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O4/c1-12(2)9-26(5)20(30)15-11-27(13(3)4)10-14(17(15)28)19(29)25-18(21(22,23)24)16-7-6-8-31-16/h6-8,10-13,18H,9H2,1-5H3,(H,25,29).
What are the key properties of 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide?
3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide has a molecular weight of 441.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 45239152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).