(E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

C26H24N4O3 — CID 98867836

IUPAC(E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESCn1ccnc1COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C26H24N4O3/c1-30-17-16-28-25(30)19-33-24-12-8-21(9-13-24)29-26(31)14-7-20-5-10-23(11-6-20)32-18-22-4-2-3-15-27-22/h2-17H,18-19H2,1H3,(H,29,31)/b14-7+
InChIKeyQQAMANHVXLBMIS-VGOFMYFVSA-N
MW440.50 g/mol
LogP4.62
Rot. Bonds9

About (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

(E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 98867836) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
PubChem CID98867836
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name(E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESCn1ccnc1COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C26H24N4O3/c1-30-17-16-28-25(30)19-33-24-12-8-21(9-13-24)29-26(31)14-7-20-5-10-23(11-6-20)32-18-22-4-2-3-15-27-22/h2-17H,18-19H2,1H3,(H,29,31)/b14-7+
InChIKeyQQAMANHVXLBMIS-VGOFMYFVSA-N
XLogP4.62
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-ethoxyphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55616869
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide
CID 86998719
N-propan-2-yl-4-[3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoylamino]benzamide
CID 55864279
N-[4-(azepane-1-carbonyl)phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55887105
(E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46546321
(E)-N-(2-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46547414
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55786021
(E)-N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46546294
methanol;(1E,6E)-1-(2-methylpyrazol-3-yl)-7-[4-(pyridin-2-ylmethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 160761825
(E)-N-[3-(hydroxymethyl)pentan-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 75433996
N,2-dimethyl-3-[[(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 55677426
(E)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-naphthalen-2-ylprop-2-en-1-one
CID 52658518

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (CID 98867836) is (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is Cn1ccnc1COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1.
What is the InChIKey of (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is QQAMANHVXLBMIS-VGOFMYFVSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-30-17-16-28-25(30)19-33-24-12-8-21(9-13-24)29-26(31)14-7-20-5-10-23(11-6-20)32-18-22-4-2-3-15-27-22/h2-17H,18-19H2,1H3,(H,29,31)/b14-7+.
What are the key properties of (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
(E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 440.50 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 98867836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).