N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide

C14H18N2O3S — CID 11437852

IUPACN-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(CCc2cccs2)C1=O)NO
InChIInChI=1S/C14H18N2O3S/c17-13(15-19)6-5-11-3-1-8-16(14(11)18)9-7-12-4-2-10-20-12/h2-4,10,19H,1,5-9H2,(H,15,17)
InChIKeyHRPZBDHBLNVXHB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.73
Rot. Bonds6

About N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide

N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide (PubChem CID 11437852) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide
PubChem CID11437852
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(CCc2cccs2)C1=O)NO
InChIInChI=1S/C14H18N2O3S/c17-13(15-19)6-5-11-3-1-8-16(14(11)18)9-7-12-4-2-10-20-12/h2-4,10,19H,1,5-9H2,(H,15,17)
InChIKeyHRPZBDHBLNVXHB-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide?
The IUPAC name of N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide (CID 11437852) is N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide is O=C(CCC1=CCCN(CCc2cccs2)C1=O)NO.
What is the InChIKey of N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide?
The InChIKey is HRPZBDHBLNVXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-13(15-19)6-5-11-3-1-8-16(14(11)18)9-7-12-4-2-10-20-12/h2-4,10,19H,1,5-9H2,(H,15,17).
What are the key properties of N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide?
N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide has a molecular weight of 294.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide is sourced from PubChem (CID 11437852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).