4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide

C15H16N2O5 — CID 76321794

IUPAC4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide
SMILESC1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C(=O)NCCCO)NO
InChIInChI=1S/C15H16N2O5/c18-8-4-7-16-14(19)13-11(17-21)9-12(22-15(13)20)10-5-2-1-3-6-10/h1-3,5-6,9,17-18,21H,4,7-8H2,(H,16,19)
InChIKeyCNPUSPJBGQHZIL-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.90
Rot. Bonds6

About 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide

4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide (PubChem CID 76321794) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide.

Molecular Properties

Compound Name4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide
PubChem CID76321794
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide
SMILESC1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C(=O)NCCCO)NO
InChIInChI=1S/C15H16N2O5/c18-8-4-7-16-14(19)13-11(17-21)9-12(22-15(13)20)10-5-2-1-3-6-10/h1-3,5-6,9,17-18,21H,4,7-8H2,(H,16,19)
InChIKeyCNPUSPJBGQHZIL-UHFFFAOYSA-N
XLogP1.90
TPSA108.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity492

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxyamino)-N-methyl-2-oxo-6-phenylpyran-3-carboxamide
CID 76310891
N-benzyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
CID 76321792
4-(hydroxyamino)-2-oxo-6-phenyl-N-propylpyran-3-carboxamide
CID 76321793
N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
CID 76328970
N-benzyl-4-(hydroxyamino)-6-(4-methylphenyl)-2-oxopyran-3-carboxamide
CID 76336249
4-(hydroxyamino)-2-oxo-6-phenyl-N-propan-2-ylpyran-3-carboxamide
CID 76336251
4-(hydroxyamino)-N-(2-hydroxyethyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76310892
6-(4-fluorophenyl)-4-(hydroxyamino)-N-methyl-2-oxopyran-3-carboxamide
CID 76314521
N-benzyl-6-(4-fluorophenyl)-4-(hydroxyamino)-2-oxopyran-3-carboxamide
CID 76318100
Methyl 2-[[6-(4-fluorophenyl)-4-(hydroxyamino)-2-oxopyran-3-carbonyl]amino]acetate
CID 76318102
Methyl 2-[[4-(hydroxyamino)-6-(4-methylphenyl)-2-oxopyran-3-carbonyl]amino]acetate
CID 76325432
4-(hydroxyamino)-N-methyl-6-(4-methylphenyl)-2-oxopyran-3-carboxamide
CID 76325434

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide?
The IUPAC name of 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide (CID 76321794) is 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide.
What is the SMILES notation for 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide?
The canonical SMILES for 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide is C1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C(=O)NCCCO)NO.
What is the InChIKey of 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide?
The InChIKey is CNPUSPJBGQHZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-8-4-7-16-14(19)13-11(17-21)9-12(22-15(13)20)10-5-2-1-3-6-10/h1-3,5-6,9,17-18,21H,4,7-8H2,(H,16,19).
What are the key properties of 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide?
4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide is sourced from PubChem (CID 76321794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).