(E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide

C13H15N5O2 — CID 58351054

IUPAC(E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide
SMILESCc1cn(-c2ccc(/C=C/C(=O)NN)nc2CO)cn1
InChIInChI=1S/C13H15N5O2/c1-9-6-18(8-15-9)12-4-2-10(16-11(12)7-19)3-5-13(20)17-14/h2-6,8,19H,7,14H2,1H3,(H,17,20)/b5-3+
InChIKeyMDDBCEKVISXBGG-HWKANZROSA-N
MW273.30 g/mol
LogP0.07
Rot. Bonds4

About (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide

(E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide (PubChem CID 58351054) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide
PubChem CID58351054
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide
SMILESCc1cn(-c2ccc(/C=C/C(=O)NN)nc2CO)cn1
InChIInChI=1S/C13H15N5O2/c1-9-6-18(8-15-9)12-4-2-10(16-11(12)7-19)3-5-13(20)17-14/h2-6,8,19H,7,14H2,1H3,(H,17,20)/b5-3+
InChIKeyMDDBCEKVISXBGG-HWKANZROSA-N
XLogP0.07
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
CID 58223153
N-[3-(4-chlorophenyl)-2-oxo-1,3-diazinan-1-yl]-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
CID 71256360
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methylprop-2-enamide
CID 142686276
(2E)-2-[[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]methylidene]butanamide
CID 172813669
(E)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enenitrile
CID 66839224
[3-(4-methylimidazol-1-yl)-6-[(E)-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethenyl]-2-pyridinyl]methanol
CID 58351059
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391164
[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391295
[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391195

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide (CID 58351054) is (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide is Cc1cn(-c2ccc(/C=C/C(=O)NN)nc2CO)cn1.
What is the InChIKey of (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide?
The InChIKey is MDDBCEKVISXBGG-HWKANZROSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-6-18(8-15-9)12-4-2-10(16-11(12)7-19)3-5-13(20)17-14/h2-6,8,19H,7,14H2,1H3,(H,17,20)/b5-3+.
What are the key properties of (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide?
(E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide has a molecular weight of 273.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide is sourced from PubChem (CID 58351054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).