3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid

C15H14N2O4 — CID 107672806

IUPAC3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
SMILESCNC(=O)c1cc(Oc2ccc(C(=O)O)cc2C)ccn1
InChIInChI=1S/C15H14N2O4/c1-9-7-10(15(19)20)3-4-13(9)21-11-5-6-17-12(8-11)14(18)16-2/h3-8H,1-2H3,(H,16,18)(H,19,20)
InChIKeyYVBYHTNEPNXYGI-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.24
Rot. Bonds4

About 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid

3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid (PubChem CID 107672806) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
PubChem CID107672806
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
SMILESCNC(=O)c1cc(Oc2ccc(C(=O)O)cc2C)ccn1
InChIInChI=1S/C15H14N2O4/c1-9-7-10(15(19)20)3-4-13(9)21-11-5-6-17-12(8-11)14(18)16-2/h3-8H,1-2H3,(H,16,18)(H,19,20)
InChIKeyYVBYHTNEPNXYGI-UHFFFAOYSA-N
XLogP2.24
TPSA88.52 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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopropyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 154794734
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 166373863
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 143062062
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
4-[4-[[(2-methoxy-4,5-dimethylphenyl)carbamoylamino]methyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 118301640
4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 118301682
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid?
The IUPAC name of 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid (CID 107672806) is 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid is CNC(=O)c1cc(Oc2ccc(C(=O)O)cc2C)ccn1.
What is the InChIKey of 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid?
The InChIKey is YVBYHTNEPNXYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-7-10(15(19)20)3-4-13(9)21-11-5-6-17-12(8-11)14(18)16-2/h3-8H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid?
3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 107672806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).