2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid

C20H16N2O4 — CID 2812516

IUPAC2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid
SMILESCc1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1C(=O)O
InChIInChI=1S/C20H16N2O4/c1-13-7-5-11-16(17(13)20(24)25)22-18(23)15-10-6-12-21-19(15)26-14-8-3-2-4-9-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyZDGOKVILTIFGJK-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.13
Rot. Bonds5

About 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid

2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid (PubChem CID 2812516) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid
PubChem CID2812516
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid
SMILESCc1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1C(=O)O
InChIInChI=1S/C20H16N2O4/c1-13-7-5-11-16(17(13)20(24)25)22-18(23)15-10-6-12-21-19(15)26-14-8-3-2-4-9-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyZDGOKVILTIFGJK-UHFFFAOYSA-N
XLogP4.13
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid (CID 2812516) is 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid is Cc1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is ZDGOKVILTIFGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-13-7-5-11-16(17(13)20(24)25)22-18(23)15-10-6-12-21-19(15)26-14-8-3-2-4-9-14/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid?
2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 348.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-phenoxypyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 2812516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).