N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide

C18H20N2O5 — CID 165437332

IUPACN-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(CCCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1
InChIInChI=1S/C18H20N2O5/c21-14-11-16(25-12-15(14)22)18(24)19-10-6-2-5-9-17(23)20-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,22H,2,5-6,9-10H2,(H,19,24)(H,20,23)
InChIKeyAZYFXNZRJYWEKC-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.27
Rot. Bonds8

About N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide

N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 165437332) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide
PubChem CID165437332
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(CCCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1
InChIInChI=1S/C18H20N2O5/c21-14-11-16(25-12-15(14)22)18(24)19-10-6-2-5-9-17(23)20-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,22H,2,5-6,9-10H2,(H,19,24)(H,20,23)
InChIKeyAZYFXNZRJYWEKC-UHFFFAOYSA-N
XLogP2.27
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.27
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-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437388
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-(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-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide (CID 165437332) is N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide is O=C(CCCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1.
What is the InChIKey of N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is AZYFXNZRJYWEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-14-11-16(25-12-15(14)22)18(24)19-10-6-2-5-9-17(23)20-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,22H,2,5-6,9-10H2,(H,19,24)(H,20,23).
What are the key properties of N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide?
N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 165437332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).