6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide

C23H26F3N5O3 — CID 156724315

IUPAC6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide
SMILESC=C(CC)Nc1ccc(C#N)cn1.NC(=O)COC1(c2cncc(OCC(F)(F)F)c2)CCC1
InChIInChI=1S/C13H15F3N2O3.C10H11N3/c14-13(15,16)8-20-10-4-9(5-18-6-10)12(2-1-3-12)21-7-11(17)19;1-3-8(2)13-10-5-4-9(6-11)7-12-10/h4-6H,1-3,7-8H2,(H2,17,19);4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyYNJUNPZPKBUGII-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.19
Rot. Bonds9

About 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide

6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide (PubChem CID 156724315) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide.

Molecular Properties

Compound Name6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide
PubChem CID156724315
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC Name6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide
SMILESC=C(CC)Nc1ccc(C#N)cn1.NC(=O)COC1(c2cncc(OCC(F)(F)F)c2)CCC1
InChIInChI=1S/C13H15F3N2O3.C10H11N3/c14-13(15,16)8-20-10-4-9(5-18-6-10)12(2-1-3-12)21-7-11(17)19;1-3-8(2)13-10-5-4-9(6-11)7-12-10/h4-6H,1-3,7-8H2,(H2,17,19);4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyYNJUNPZPKBUGII-UHFFFAOYSA-N
XLogP4.19
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide?
The IUPAC name of 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide (CID 156724315) is 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide.
What is the SMILES notation for 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide?
The canonical SMILES for 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide is C=C(CC)Nc1ccc(C#N)cn1.NC(=O)COC1(c2cncc(OCC(F)(F)F)c2)CCC1.
What is the InChIKey of 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide?
The InChIKey is YNJUNPZPKBUGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3.C10H11N3/c14-13(15,16)8-20-10-4-9(5-18-6-10)12(2-1-3-12)21-7-11(17)19;1-3-8(2)13-10-5-4-9(6-11)7-12-10/h4-6H,1-3,7-8H2,(H2,17,19);4-5,7H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide?
6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide has a molecular weight of 477.49 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide is sourced from PubChem (CID 156724315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).