N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide

C17H18N2O5 — CID 165437388

IUPACN-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(CCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1
InChIInChI=1S/C17H18N2O5/c20-13-10-15(24-11-14(13)21)17(23)18-9-5-4-8-16(22)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,21H,4-5,8-9H2,(H,18,23)(H,19,22)
InChIKeyXSDAPLHJCOCHKP-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.88
Rot. Bonds7

About N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide

N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 165437388) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide
PubChem CID165437388
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(CCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1
InChIInChI=1S/C17H18N2O5/c20-13-10-15(24-11-14(13)21)17(23)18-9-5-4-8-16(22)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,21H,4-5,8-9H2,(H,18,23)(H,19,22)
InChIKeyXSDAPLHJCOCHKP-UHFFFAOYSA-N
XLogP1.88
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 7178338
N-methyl-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 7178516
N-isopropyl-2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetamide
CID 7178544
2-(Anilinomethyl)-5-hydroxypyran-4-one
CID 130407637
N-cyclopentyl-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 7178327
2-[6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide
CID 7178520
2-[6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-propylacetamide
CID 7178534
2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)-N-phenylacetamide
CID 7178268
2-((6-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-isopropylacetamide
CID 7178546
N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437332
N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437357
N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 166436518

Frequently Asked Questions

What is the IUPAC name of N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide (CID 165437388) is N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide is O=C(CCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1.
What is the InChIKey of N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is XSDAPLHJCOCHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-13-10-15(24-11-14(13)21)17(23)18-9-5-4-8-16(22)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,21H,4-5,8-9H2,(H,18,23)(H,19,22).
What are the key properties of N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide?
N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 165437388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).