2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

C19H16FN3O2 — CID 66695115

IUPAC2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cnc(-c3ccncc3F)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C19H16FN3O2/c1-11-3-4-17(15(7-11)19(24)25)23-13-8-12(2)18(22-9-13)14-5-6-21-10-16(14)20/h3-10,23H,1-2H3,(H,24,25)
InChIKeyMLAXITPSWMGQQU-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.34
Rot. Bonds4

About 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 66695115) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID66695115
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cnc(-c3ccncc3F)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C19H16FN3O2/c1-11-3-4-17(15(7-11)19(24)25)23-13-8-12(2)18(22-9-13)14-5-6-21-10-16(14)20/h3-10,23H,1-2H3,(H,24,25)
InChIKeyMLAXITPSWMGQQU-UHFFFAOYSA-N
XLogP4.34
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (CID 66695115) is 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is Cc1ccc(Nc2cnc(-c3ccncc3F)c(C)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is MLAXITPSWMGQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-11-3-4-17(15(7-11)19(24)25)23-13-8-12(2)18(22-9-13)14-5-6-21-10-16(14)20/h3-10,23H,1-2H3,(H,24,25).
What are the key properties of 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 337.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 66695115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).