(E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide

C19H21N5O2 — CID 53364278

IUPAC(E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESCc1[nH]c2nccnc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C19H21N5O2/c1-13-16(18-19(23-13)22-11-10-21-18)8-9-20-12-15-4-2-14(3-5-15)6-7-17(25)24-26/h2-7,10-11,20,26H,8-9,12H2,1H3,(H,22,23)(H,24,25)/b7-6+
InChIKeyIQUVDUWKZURIRZ-VOTSOKGWSA-N
MW351.41 g/mol
LogP2.12
Rot. Bonds7

About (E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide (PubChem CID 53364278) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID53364278
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESCc1[nH]c2nccnc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C19H21N5O2/c1-13-16(18-19(23-13)22-11-10-21-18)8-9-20-12-15-4-2-14(3-5-15)6-7-17(25)24-26/h2-7,10-11,20,26H,8-9,12H2,1H3,(H,22,23)(H,24,25)/b7-6+
InChIKeyIQUVDUWKZURIRZ-VOTSOKGWSA-N
XLogP2.12
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.12
H-Bond Donors ≤ 54
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-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide (CID 53364278) is (E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide is Cc1[nH]c2nccnc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is IQUVDUWKZURIRZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-16(18-19(23-13)22-11-10-21-18)8-9-20-12-15-4-2-14(3-5-15)6-7-17(25)24-26/h2-7,10-11,20,26H,8-9,12H2,1H3,(H,22,23)(H,24,25)/b7-6+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 351.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[2-(6-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 53364278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).