N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide

C16H19N3O5 — CID 52940930

IUPACN-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(CCc2ccc([N+](=O)[O-])cc2)C1=O)NO
InChIInChI=1S/C16H19N3O5/c20-15(17-22)8-5-13-2-1-10-18(16(13)21)11-9-12-3-6-14(7-4-12)19(23)24/h2-4,6-7,22H,1,5,8-11H2,(H,17,20)
InChIKeyCQORENWQCVTCCU-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.58
Rot. Bonds7

About N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide

N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide (PubChem CID 52940930) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
PubChem CID52940930
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(CCc2ccc([N+](=O)[O-])cc2)C1=O)NO
InChIInChI=1S/C16H19N3O5/c20-15(17-22)8-5-13-2-1-10-18(16(13)21)11-9-12-3-6-14(7-4-12)19(23)24/h2-4,6-7,22H,1,5,8-11H2,(H,17,20)
InChIKeyCQORENWQCVTCCU-UHFFFAOYSA-N
XLogP1.58
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide (CID 52940930) is N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide is O=C(CCC1=CCCN(CCc2ccc([N+](=O)[O-])cc2)C1=O)NO.
What is the InChIKey of N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The InChIKey is CQORENWQCVTCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c20-15(17-22)8-5-13-2-1-10-18(16(13)21)11-9-12-3-6-14(7-4-12)19(23)24/h2-4,6-7,22H,1,5,8-11H2,(H,17,20).
What are the key properties of N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide has a molecular weight of 333.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[2-(4-nitrophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide is sourced from PubChem (CID 52940930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).