2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid

C21H16F2N2O4 — CID 141335128

IUPAC2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1CNC(=O)c1cc(F)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C21H16F2N2O4/c1-12-3-2-4-16(21(27)28)18(12)11-24-19(26)17-9-14(23)10-25-20(17)29-15-7-5-13(22)6-8-15/h2-10H,11H2,1H3,(H,24,26)(H,27,28)
InChIKeyOEHUYHXYUHXPKZ-UHFFFAOYSA-N
MW398.37 g/mol
LogP4.09
Rot. Bonds6

About 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid

2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid (PubChem CID 141335128) has the molecular formula C21H16F2N2O4 and a molecular weight of 398.37 g/mol. Its IUPAC name is 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
PubChem CID141335128
Molecular FormulaC21H16F2N2O4
Molecular Weight398.37 g/mol
Exact Mass398.11
IUPAC Name2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1CNC(=O)c1cc(F)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C21H16F2N2O4/c1-12-3-2-4-16(21(27)28)18(12)11-24-19(26)17-9-14(23)10-25-20(17)29-15-7-5-13(22)6-8-15/h2-10H,11H2,1H3,(H,24,26)(H,27,28)
InChIKeyOEHUYHXYUHXPKZ-UHFFFAOYSA-N
XLogP4.09
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 89207947
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate
CID 158285072
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467
4-[[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69051381
4-[[[5-fluoro-2-(4-phenylmethoxyphenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 91108177
2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 141335059
1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 142274002
N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide
CID 141112093
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid?
The IUPAC name of 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid (CID 141335128) is 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid.
What is the SMILES notation for 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid?
The canonical SMILES for 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1CNC(=O)c1cc(F)cnc1Oc1ccc(F)cc1.
What is the InChIKey of 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid?
The InChIKey is OEHUYHXYUHXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O4/c1-12-3-2-4-16(21(27)28)18(12)11-24-19(26)17-9-14(23)10-25-20(17)29-15-7-5-13(22)6-8-15/h2-10H,11H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid?
2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid has a molecular weight of 398.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid is sourced from PubChem (CID 141335128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).