(E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide

C18H19N5O2 — CID 74539504

IUPAC(E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cnc3[nH]ccc3c2)cn1)NO
InChIInChI=1S/C18H19N5O2/c24-17(23-25)4-3-16-2-1-14(12-21-16)10-19-7-5-13-9-15-6-8-20-18(15)22-11-13/h1-4,6,8-9,11-12,19,25H,5,7,10H2,(H,20,22)(H,23,24)/b4-3+
InChIKeyNBRJHRXLTKQBRQ-ONEGZZNKSA-N
MW337.38 g/mol
LogP1.81
Rot. Bonds7

About (E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide (PubChem CID 74539504) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide
PubChem CID74539504
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cnc3[nH]ccc3c2)cn1)NO
InChIInChI=1S/C18H19N5O2/c24-17(23-25)4-3-16-2-1-14(12-21-16)10-19-7-5-13-9-15-6-8-20-18(15)22-11-13/h1-4,6,8-9,11-12,19,25H,5,7,10H2,(H,20,22)(H,23,24)/b4-3+
InChIKeyNBRJHRXLTKQBRQ-ONEGZZNKSA-N
XLogP1.81
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.81
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-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide (CID 74539504) is (E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCCc2cnc3[nH]ccc3c2)cn1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is NBRJHRXLTKQBRQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17(23-25)4-3-16-2-1-14(12-21-16)10-19-7-5-13-9-15-6-8-20-18(15)22-11-13/h1-4,6,8-9,11-12,19,25H,5,7,10H2,(H,20,22)(H,23,24)/b4-3+.
What are the key properties of (E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 1.81, 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-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]methyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 74539504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).