N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide

C23H25F2N5O3 — CID 156724051

IUPACN-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide
SMILESCCN(/C(C)=C/NC(=O)COC1(c2c(F)cnc(OC)c2F)CCC1)c1ccc(C#N)cn1
InChIInChI=1S/C23H25F2N5O3/c1-4-30(18-7-6-16(10-26)12-27-18)15(2)11-28-19(31)14-33-23(8-5-9-23)20-17(24)13-29-22(32-3)21(20)25/h6-7,11-13H,4-5,8-9,14H2,1-3H3,(H,28,31)/b15-11+
InChIKeyAQCVEUVZXFLQGJ-RVDMUPIBSA-N
MW457.48 g/mol
LogP3.53
Rot. Bonds9

About N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide

N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide (PubChem CID 156724051) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide.

Molecular Properties

Compound NameN-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide
PubChem CID156724051
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC NameN-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide
SMILESCCN(/C(C)=C/NC(=O)COC1(c2c(F)cnc(OC)c2F)CCC1)c1ccc(C#N)cn1
InChIInChI=1S/C23H25F2N5O3/c1-4-30(18-7-6-16(10-26)12-27-18)15(2)11-28-19(31)14-33-23(8-5-9-23)20-17(24)13-29-22(32-3)21(20)25/h6-7,11-13H,4-5,8-9,14H2,1-3H3,(H,28,31)/b15-11+
InChIKeyAQCVEUVZXFLQGJ-RVDMUPIBSA-N
XLogP3.53
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide with MolForge

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Related Compounds

N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane
CID 156724184
N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide;ethane
CID 156724132
N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide
CID 156724066
N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane
CID 156724263
3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 131970574
N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile
CID 156724368
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide
CID 156724110
N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 156724065
5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
CID 113362666
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115268063
6-[(6R)-3-[2-[[1-(2,6-difluoro-3-methoxyphenyl)cyclobutyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
CID 156723980

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide?
The IUPAC name of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide (CID 156724051) is N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide.
What is the SMILES notation for N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide?
The canonical SMILES for N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide is CCN(/C(C)=C/NC(=O)COC1(c2c(F)cnc(OC)c2F)CCC1)c1ccc(C#N)cn1.
What is the InChIKey of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide?
The InChIKey is AQCVEUVZXFLQGJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-4-30(18-7-6-16(10-26)12-27-18)15(2)11-28-19(31)14-33-23(8-5-9-23)20-17(24)13-29-22(32-3)21(20)25/h6-7,11-13H,4-5,8-9,14H2,1-3H3,(H,28,31)/b15-11+.
What are the key properties of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide?
N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide has a molecular weight of 457.48 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide is sourced from PubChem (CID 156724051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).