6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid

C15H14N2O4 — CID 65454117

IUPAC6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C(N)=O)cc(C)c1Oc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H14N2O4/c1-8-5-11(14(16)18)6-9(2)13(8)21-12-4-3-10(7-17-12)15(19)20/h3-7H,1-2H3,(H2,16,18)(H,19,20)
InChIKeyVFESTZDDRVCUQW-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.29
Rot. Bonds4

About 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid

6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid (PubChem CID 65454117) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
PubChem CID65454117
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C(N)=O)cc(C)c1Oc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H14N2O4/c1-8-5-11(14(16)18)6-9(2)13(8)21-12-4-3-10(7-17-12)15(19)20/h3-7H,1-2H3,(H2,16,18)(H,19,20)
InChIKeyVFESTZDDRVCUQW-UHFFFAOYSA-N
XLogP2.29
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 83269691
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
CID 62098338
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81342027
6-[4-(2-aminoethyl)-2-methylphenoxy]pyridine-3-carboxamide
CID 59730260
4-(4-carboxy-2,6-dimethylphenoxy)-3,5-dimethylbenzoic acid
CID 139991127
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
6-(3,4,5-trimethoxyphenoxy)pyridine-3-carboxamide
CID 69475423
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 43351972
ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79844299
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid (CID 65454117) is 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid is Cc1cc(C(N)=O)cc(C)c1Oc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is VFESTZDDRVCUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-5-11(14(16)18)6-9(2)13(8)21-12-4-3-10(7-17-12)15(19)20/h3-7H,1-2H3,(H2,16,18)(H,19,20).
What are the key properties of 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid?
6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 65454117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).