(Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide

C23H24N4O5 — CID 126219069

IUPAC(Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide
SMILESCCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C23H24N4O5/c1-2-31-21-13-16(12-17(14-24)23(28)26-18-6-4-3-5-7-18)8-10-20(21)32-22-11-9-19(15-25-22)27(29)30/h8-13,15,18H,2-7H2,1H3,(H,26,28)/b17-12-
InChIKeyREMNEBLGHNYIKL-ATVHPVEESA-N
MW436.47 g/mol
LogP4.54
Rot. Bonds8

About (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide (PubChem CID 126219069) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide
PubChem CID126219069
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide
SMILESCCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C23H24N4O5/c1-2-31-21-13-16(12-17(14-24)23(28)26-18-6-4-3-5-7-18)8-10-20(21)32-22-11-9-19(15-25-22)27(29)30/h8-13,15,18H,2-7H2,1H3,(H,26,28)/b17-12-
InChIKeyREMNEBLGHNYIKL-ATVHPVEESA-N
XLogP4.54
TPSA127.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-cyclopentyl-3-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]prop-2-enamide
CID 126196676
(E)-2-cyano-N-cyclopropyl-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
CID 6085512
3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-cyclohexylprop-2-enamide
CID 3844707
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-cyclohexylprop-2-enamide
CID 6050634
3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde
CID 737857
(Z)-2-cyano-N-cyclopentyl-3-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 124546228
(Z)-2-cyano-N-cyclopentyl-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 124651952
(Z)-2-cyano-N-cyclohexyl-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 19183837
(Z)-2-cyano-N-cyclopentyl-3-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 124651956
(Z)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 126200801
(E)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 44807292
(E)-3-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 44808060

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide (CID 126219069) is (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide is CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The InChIKey is REMNEBLGHNYIKL-ATVHPVEESA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-31-21-13-16(12-17(14-24)23(28)26-18-6-4-3-5-7-18)8-10-20(21)32-22-11-9-19(15-25-22)27(29)30/h8-13,15,18H,2-7H2,1H3,(H,26,28)/b17-12-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide has a molecular weight of 436.47 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide is sourced from PubChem (CID 126219069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).