(E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide

C19H20N4O2 — CID 53364353

IUPAC(E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cnc3ccccn23)cc1)NO
InChIInChI=1S/C19H20N4O2/c24-19(22-25)9-8-15-4-6-16(7-5-15)13-20-11-10-17-14-21-18-3-1-2-12-23(17)18/h1-9,12,14,20,25H,10-11,13H2,(H,22,24)/b9-8+
InChIKeyUNPUPHZKXHNIRL-CMDGGOBGSA-N
MW336.40 g/mol
LogP2.19
Rot. Bonds7

About (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide (PubChem CID 53364353) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide
PubChem CID53364353
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cnc3ccccn23)cc1)NO
InChIInChI=1S/C19H20N4O2/c24-19(22-25)9-8-15-4-6-16(7-5-15)13-20-11-10-17-14-21-18-3-1-2-12-23(17)18/h1-9,12,14,20,25H,10-11,13H2,(H,22,24)/b9-8+
InChIKeyUNPUPHZKXHNIRL-CMDGGOBGSA-N
XLogP2.19
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide (CID 53364353) is (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCCc2cnc3ccccn23)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide?
The InChIKey is UNPUPHZKXHNIRL-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(22-25)9-8-15-4-6-16(7-5-15)13-20-11-10-17-14-21-18-3-1-2-12-23(17)18/h1-9,12,14,20,25H,10-11,13H2,(H,22,24)/b9-8+.
What are the key properties of (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide has a molecular weight of 336.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 53364353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).