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

C15H17N3O5 — CID 11359066

IUPACN-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(Cc2ccc([N+](=O)[O-])cc2)C1=O)NO
InChIInChI=1S/C15H17N3O5/c19-14(16-21)8-5-12-2-1-9-17(15(12)20)10-11-3-6-13(7-4-11)18(22)23/h2-4,6-7,21H,1,5,8-10H2,(H,16,19)
InChIKeyJNDXSYFTMLIPIN-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.54
Rot. Bonds6

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

N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide (PubChem CID 11359066) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
PubChem CID11359066
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(Cc2ccc([N+](=O)[O-])cc2)C1=O)NO
InChIInChI=1S/C15H17N3O5/c19-14(16-21)8-5-12-2-1-9-17(15(12)20)10-11-3-6-13(7-4-11)18(22)23/h2-4,6-7,21H,1,5,8-10H2,(H,16,19)
InChIKeyJNDXSYFTMLIPIN-UHFFFAOYSA-N
XLogP1.54
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.54
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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Related Compounds

b-AP15
CID 5351435
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(2E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide
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(4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone
CID 764416
N,N'-bis(p-nitrobenzoyl)ethylenediamine
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N-(cyclohexylmethyl)-3-nitrobenzamide
CID 2989425
1-(4-Nitrobenzoyl)piperidine
CID 225468
4-nitro-N-(2-phenylethyl)benzamide
CID 230117
(4-Nitrophenyl)(pyrrolidin-1-yl)methanone
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CID 913108

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide (CID 11359066) is N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide is O=C(CCC1=CCCN(Cc2ccc([N+](=O)[O-])cc2)C1=O)NO.
What is the InChIKey of N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The InChIKey is JNDXSYFTMLIPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c19-14(16-21)8-5-12-2-1-9-17(15(12)20)10-11-3-6-13(7-4-11)18(22)23/h2-4,6-7,21H,1,5,8-10H2,(H,16,19).
What are the key properties of N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide has a molecular weight of 319.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[(4-nitrophenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide is sourced from PubChem (CID 11359066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).