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

C19H20N4O2 — CID 74539142

IUPAC(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2nccc3[nH]ccc23)cc1)NO
InChIInChI=1S/C19H20N4O2/c24-19(23-25)6-5-14-1-3-15(4-2-14)13-20-10-8-17-16-7-11-21-18(16)9-12-22-17/h1-7,9,11-12,20-21,25H,8,10,13H2,(H,23,24)/b6-5+
InChIKeyQQBRQVROHOAIBT-AATRIKPKSA-N
MW336.40 g/mol
LogP2.41
Rot. Bonds7

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

(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide (PubChem CID 74539142) 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[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID74539142
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2nccc3[nH]ccc23)cc1)NO
InChIInChI=1S/C19H20N4O2/c24-19(23-25)6-5-14-1-3-15(4-2-14)13-20-10-8-17-16-7-11-21-18(16)9-12-22-17/h1-7,9,11-12,20-21,25H,8,10,13H2,(H,23,24)/b6-5+
InChIKeyQQBRQVROHOAIBT-AATRIKPKSA-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'}

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Related Compounds

(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539649
(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539651
(E)-N-hydroxy-3-[4-[[2-[5-(3-methylbut-2-enoxy)-1H-indol-3-yl]ethylamino]methyl]phenyl]prop-2-enamide
CID 20579407
(E)-3-[2-fluoro-4-[[2-(1H-indol-4-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150296
(E)-N-hydroxy-3-[4-[[2-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 53364277
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;hydrate
CID 76972289
(E)-3-[4-[[2-(2,3-dimethyl-1H-indol-5-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide;ethane
CID 144858739
(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150430
ethane;(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 156839616
N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide
CID 85390507
(E)-N-hydroxy-3-[4-[[2-(1,3,4,9-tetrahydrothiopyrano[3,4-b]indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 118150420
(E)-N-hydroxy-3-[4-[[2-(9H-pyrido[2,3-b]indol-6-yl)ethylamino]methyl]phenyl]prop-2-enamide;(3Z)-penta-1,3-diene
CID 144858685

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide (CID 74539142) is (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCCc2nccc3[nH]ccc23)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is QQBRQVROHOAIBT-AATRIKPKSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(23-25)6-5-14-1-3-15(4-2-14)13-20-10-8-17-16-7-11-21-18(16)9-12-22-17/h1-7,9,11-12,20-21,25H,8,10,13H2,(H,23,24)/b6-5+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-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[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 74539142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).