(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide

C19H20N4O2 — CID 20579413

IUPAC(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2c[nH]c3ncccc23)cc1)NO
InChIInChI=1S/C19H20N4O2/c24-18(23-25)8-7-14-3-5-15(6-4-14)12-20-11-9-16-13-22-19-17(16)2-1-10-21-19/h1-8,10,13,20,25H,9,11-12H2,(H,21,22)(H,23,24)/b8-7+
InChIKeyNPRMIAORLQQEDL-BQYQJAHWSA-N
MW336.40 g/mol
LogP2.41
Rot. Bonds7

About (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide (PubChem CID 20579413) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID20579413
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2c[nH]c3ncccc23)cc1)NO
InChIInChI=1S/C19H20N4O2/c24-18(23-25)8-7-14-3-5-15(6-4-14)12-20-11-9-16-13-22-19-17(16)2-1-10-21-19/h1-8,10,13,20,25H,9,11-12H2,(H,21,22)(H,23,24)/b8-7+
InChIKeyNPRMIAORLQQEDL-BQYQJAHWSA-N
XLogP2.41
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

Analyze (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide (CID 20579413) is (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCCc2c[nH]c3ncccc23)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is NPRMIAORLQQEDL-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(23-25)8-7-14-3-5-15(6-4-14)12-20-11-9-16-13-22-19-17(16)2-1-10-21-19/h1-8,10,13,20,25H,9,11-12H2,(H,21,22)(H,23,24)/b8-7+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 336.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 20579413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).