N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide

C20H23N3O2 — CID 74959589

IUPACN-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(C2CCCN2CCc2ccccn2)cc1)NO
InChIInChI=1S/C20H23N3O2/c24-20(22-25)11-8-16-6-9-17(10-7-16)19-5-3-14-23(19)15-12-18-4-1-2-13-21-18/h1-2,4,6-11,13,19,25H,3,5,12,14-15H2,(H,22,24)
InChIKeyCQVICJSOEPLAPF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.98
Rot. Bonds6

About N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide

N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide (PubChem CID 74959589) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
PubChem CID74959589
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(C2CCCN2CCc2ccccn2)cc1)NO
InChIInChI=1S/C20H23N3O2/c24-20(22-25)11-8-16-6-9-17(10-7-16)19-5-3-14-23(19)15-12-18-4-1-2-13-21-18/h1-2,4,6-11,13,19,25H,3,5,12,14-15H2,(H,22,24)
InChIKeyCQVICJSOEPLAPF-UHFFFAOYSA-N
XLogP2.98
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.98
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-[4-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74960087
(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide
CID 141249488
(E)-N-hydroxy-3-[4-[1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290634
N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 91316059
3-[4-[1-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 76728706
2-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 95326229
(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87290698
3-[4-[(2S)-1-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91470771
3-[4-[1-[2-(2-tert-butyltetrazol-5-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 76728718
N-hydroxy-3-[4-[1-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74960084
(E)-3-[4-[1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87290655
3-[4-[(2S)-1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91597326

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide (CID 74959589) is N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide is O=C(C=Cc1ccc(C2CCCN2CCc2ccccn2)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide?
The InChIKey is CQVICJSOEPLAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(22-25)11-8-16-6-9-17(10-7-16)19-5-3-14-23(19)15-12-18-4-1-2-13-21-18/h1-2,4,6-11,13,19,25H,3,5,12,14-15H2,(H,22,24).
What are the key properties of N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide?
N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 74959589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).