ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate

C15H18N4O2 — CID 77194961

IUPACethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate
SMILES[H]/N=C(/C=Cc1ccc(-n2cnc(C)c2)c(OC)n1)OCC
InChIInChI=1S/C15H18N4O2/c1-4-21-14(16)8-6-12-5-7-13(15(18-12)20-3)19-9-11(2)17-10-19/h5-10,16H,4H2,1-3H3/b8-6?,16-14-
InChIKeyZMWDBDYUKYUPGL-LXMSGDBZSA-N
MW286.34 g/mol
LogP2.61
Rot. Bonds5

About ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate

ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate (PubChem CID 77194961) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate.

Molecular Properties

Compound Nameethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate
PubChem CID77194961
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Nameethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate
SMILES[H]/N=C(/C=Cc1ccc(-n2cnc(C)c2)c(OC)n1)OCC
InChIInChI=1S/C15H18N4O2/c1-4-21-14(16)8-6-12-5-7-13(15(18-12)20-3)19-9-11(2)17-10-19/h5-10,16H,4H2,1-3H3/b8-6?,16-14-
InChIKeyZMWDBDYUKYUPGL-LXMSGDBZSA-N
XLogP2.61
TPSA73.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enethioic S-acid
CID 143143731
(E)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enenitrile
CID 66839224
(2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide
CID 172813669
dichlorophosphoryloxymethane;(E)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enenitrile
CID 158387089
(E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide
CID 58351054
2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-7-phenyl-5,6-dihydropyrrolo[1,2-b][1,2,4]triazol-7-ol
CID 66839727
N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391564
(8S)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 25210892
[2-[(8R)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methanol;[2-[(8S)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methanol
CID 160836525
N-[3-(2,4-difluorophenyl)-4-methyl-2-oxo-1,3-diazinan-1-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
CID 66839702
6-(3,5-difluorophenyl)-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
CID 171682304
(8S)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 90926050

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate?
The IUPAC name of ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate (CID 77194961) is ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate.
What is the SMILES notation for ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate?
The canonical SMILES for ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate is [H]/N=C(/C=Cc1ccc(-n2cnc(C)c2)c(OC)n1)OCC.
What is the InChIKey of ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate?
The InChIKey is ZMWDBDYUKYUPGL-LXMSGDBZSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-21-14(16)8-6-12-5-7-13(15(18-12)20-3)19-9-11(2)17-10-19/h5-10,16H,4H2,1-3H3/b8-6?,16-14-.
What are the key properties of ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate?
ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate has a molecular weight of 286.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate is sourced from PubChem (CID 77194961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).