N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide

C22H28N4O3 — CID 156724110

IUPACN-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide
SMILESCCN(/C=C/NC(=O)CCC(CO)C1=CCCC(OC)=C1)c1ccc(C#N)cn1
InChIInChI=1S/C22H28N4O3/c1-3-26(21-9-7-17(14-23)15-25-21)12-11-24-22(28)10-8-19(16-27)18-5-4-6-20(13-18)29-2/h5,7,9,11-13,15,19,27H,3-4,6,8,10,16H2,1-2H3,(H,24,28)/b12-11+
InChIKeyVEZIFPWMQCWILM-VAWYXSNFSA-N
MW396.49 g/mol
LogP3.01
Rot. Bonds10

About N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide

N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide (PubChem CID 156724110) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide.

Molecular Properties

Compound NameN-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide
PubChem CID156724110
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide
SMILESCCN(/C=C/NC(=O)CCC(CO)C1=CCCC(OC)=C1)c1ccc(C#N)cn1
InChIInChI=1S/C22H28N4O3/c1-3-26(21-9-7-17(14-23)15-25-21)12-11-24-22(28)10-8-19(16-27)18-5-4-6-20(13-18)29-2/h5,7,9,11-13,15,19,27H,3-4,6,8,10,16H2,1-2H3,(H,24,28)/b12-11+
InChIKeyVEZIFPWMQCWILM-VAWYXSNFSA-N
XLogP3.01
TPSA98.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 156724065
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
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
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)-cyclopropylamino]pyrrolidine-1-carboxylate
CID 66766463
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide
CID 95161150
N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide
CID 156724051
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064843
N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide
CID 156724066

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide?
The IUPAC name of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide (CID 156724110) is N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide.
What is the SMILES notation for N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide?
The canonical SMILES for N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide is CCN(/C=C/NC(=O)CCC(CO)C1=CCCC(OC)=C1)c1ccc(C#N)cn1.
What is the InChIKey of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide?
The InChIKey is VEZIFPWMQCWILM-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-26(21-9-7-17(14-23)15-25-21)12-11-24-22(28)10-8-19(16-27)18-5-4-6-20(13-18)29-2/h5,7,9,11-13,15,19,27H,3-4,6,8,10,16H2,1-2H3,(H,24,28)/b12-11+.
What are the key properties of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide?
N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide has a molecular weight of 396.49 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]ethenyl]-5-hydroxy-4-(5-methoxycyclohexa-1,5-dien-1-yl)pentanamide is sourced from PubChem (CID 156724110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).