methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate

C18H20N2O4 — CID 46491540

IUPACmethyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)n1
InChIInChI=1S/C18H20N2O4/c1-18(2,3)11-8-9-15(21)14(10-11)20-16(22)12-6-5-7-13(19-12)17(23)24-4/h5-10,21H,1-4H3,(H,20,22)
InChIKeyZZPWNUQUUIUQNK-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.12
Rot. Bonds3

About methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 46491540) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID46491540
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)n1
InChIInChI=1S/C18H20N2O4/c1-18(2,3)11-8-9-15(21)14(10-11)20-16(22)12-6-5-7-13(19-12)17(23)24-4/h5-10,21H,1-4H3,(H,20,22)
InChIKeyZZPWNUQUUIUQNK-UHFFFAOYSA-N
XLogP3.12
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide
CID 134008779
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3240614
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 2905077
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
CID 139011848
N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
CID 29262316
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide
CID 47266829
2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide
CID 136863629

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate (CID 46491540) is methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)n1.
What is the InChIKey of methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is ZZPWNUQUUIUQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2,3)11-8-9-15(21)14(10-11)20-16(22)12-6-5-7-13(19-12)17(23)24-4/h5-10,21H,1-4H3,(H,20,22).
What are the key properties of methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 46491540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).