N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide

C14H12N2O3 — CID 78137722

IUPACN-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Oc1ccncc1)NO
InChIInChI=1S/C14H12N2O3/c17-14(16-18)6-5-11-3-1-2-4-13(11)19-12-7-9-15-10-8-12/h1-10,18H,(H,16,17)
InChIKeyDMTQAYYBISHJQJ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.39
Rot. Bonds4

About N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide

N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide (PubChem CID 78137722) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
PubChem CID78137722
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Oc1ccncc1)NO
InChIInChI=1S/C14H12N2O3/c17-14(16-18)6-5-11-3-1-2-4-13(11)19-12-7-9-15-10-8-12/h1-10,18H,(H,16,17)
InChIKeyDMTQAYYBISHJQJ-UHFFFAOYSA-N
XLogP2.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
CID 78137725
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
2-pyridin-4-yloxybenzaldehyde
CID 72943025
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
N-ethyl-3-(2-phenoxyphenyl)prop-2-enamide
CID 70351376
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621223
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
CID 5399136

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide?
The IUPAC name of N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide (CID 78137722) is N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide?
The canonical SMILES for N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide is O=C(C=Cc1ccccc1Oc1ccncc1)NO.
What is the InChIKey of N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide?
The InChIKey is DMTQAYYBISHJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14(16-18)6-5-11-3-1-2-4-13(11)19-12-7-9-15-10-8-12/h1-10,18H,(H,16,17).
What are the key properties of N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide?
N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide has a molecular weight of 256.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 78137722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).