(2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide

C15H18N4O2 — CID 172813669

IUPAC(2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide
SMILESCC/C(=C\c1ccc(-n2cnc(C)c2)c(OC)n1)C(N)=O
InChIInChI=1S/C15H18N4O2/c1-4-11(14(16)20)7-12-5-6-13(15(18-12)21-3)19-8-10(2)17-9-19/h5-9H,4H2,1-3H3,(H2,16,20)/b11-7+
InChIKeySNHFYBDACJVBPU-YRNVUSSQSA-N
MW286.34 g/mol
LogP1.86
Rot. Bonds5

About (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide

(2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide (PubChem CID 172813669) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide.

Molecular Properties

Compound Name(2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide
PubChem CID172813669
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide
SMILESCC/C(=C\c1ccc(-n2cnc(C)c2)c(OC)n1)C(N)=O
InChIInChI=1S/C15H18N4O2/c1-4-11(14(16)20)7-12-5-6-13(15(18-12)21-3)19-8-10(2)17-9-19/h5-9H,4H2,1-3H3,(H2,16,20)/b11-7+
InChIKeySNHFYBDACJVBPU-YRNVUSSQSA-N
XLogP1.86
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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
ethyl 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enimidate
CID 77194961
(E)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enenitrile
CID 66839224
2-[[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanoic acid
CID 66839374
dichlorophosphoryloxymethane;(E)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enenitrile
CID 158387089
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
CID 134391551
(E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide
CID 58351054
6-(3,5-difluorophenyl)-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
CID 171682304
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391564
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

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide?
The IUPAC name of (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide (CID 172813669) is (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide.
What is the SMILES notation for (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide?
The canonical SMILES for (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide is CC/C(=C\c1ccc(-n2cnc(C)c2)c(OC)n1)C(N)=O.
What is the InChIKey of (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide?
The InChIKey is SNHFYBDACJVBPU-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-11(14(16)20)7-12-5-6-13(15(18-12)21-3)19-8-10(2)17-9-19/h5-9H,4H2,1-3H3,(H2,16,20)/b11-7+.
What are the key properties of (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide?
(2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide has a molecular weight of 286.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide is sourced from PubChem (CID 172813669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).