N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide

C17H20N2O4 — CID 154787709

IUPACN-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)Cn1cccc(C(=O)NCc2ccc(O)c(O)c2)c1=O
InChIInChI=1S/C17H20N2O4/c1-11(2)10-19-7-3-4-13(17(19)23)16(22)18-9-12-5-6-14(20)15(21)8-12/h3-8,11,20-21H,9-10H2,1-2H3,(H,18,22)
InChIKeyKESYXLDEHRVYGC-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.85
Rot. Bonds5

About N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide

N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide (PubChem CID 154787709) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
PubChem CID154787709
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)Cn1cccc(C(=O)NCc2ccc(O)c(O)c2)c1=O
InChIInChI=1S/C17H20N2O4/c1-11(2)10-19-7-3-4-13(17(19)23)16(22)18-9-12-5-6-14(20)15(21)8-12/h3-8,11,20-21H,9-10H2,1-2H3,(H,18,22)
InChIKeyKESYXLDEHRVYGC-UHFFFAOYSA-N
XLogP1.85
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide (CID 154787709) is N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide is CC(C)Cn1cccc(C(=O)NCc2ccc(O)c(O)c2)c1=O.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide?
The InChIKey is KESYXLDEHRVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(2)10-19-7-3-4-13(17(19)23)16(22)18-9-12-5-6-14(20)15(21)8-12/h3-8,11,20-21H,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide?
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 154787709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).