6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid

C23H21FN2O2 — CID 123704705

IUPAC6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(C(=O)O)n1)c1ccccc1C1CC1c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O2/c1-26(14-17-5-4-7-21(25-17)23(27)28)22-8-3-2-6-18(22)20-13-19(20)15-9-11-16(24)12-10-15/h2-12,19-20H,13-14H2,1H3,(H,27,28)
InChIKeyBLQLJWZABYAWAD-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.83
Rot. Bonds6

About 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid

6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid (PubChem CID 123704705) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid
PubChem CID123704705
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(C(=O)O)n1)c1ccccc1C1CC1c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O2/c1-26(14-17-5-4-7-21(25-17)23(27)28)22-8-3-2-6-18(22)20-13-19(20)15-9-11-16(24)12-10-15/h2-12,19-20H,13-14H2,1H3,(H,27,28)
InChIKeyBLQLJWZABYAWAD-UHFFFAOYSA-N
XLogP4.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid (CID 123704705) is 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid is CN(Cc1cccc(C(=O)O)n1)c1ccccc1C1CC1c1ccc(F)cc1.
What is the InChIKey of 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid?
The InChIKey is BLQLJWZABYAWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-26(14-17-5-4-7-21(25-17)23(27)28)22-8-3-2-6-18(22)20-13-19(20)15-9-11-16(24)12-10-15/h2-12,19-20H,13-14H2,1H3,(H,27,28).
What are the key properties of 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid?
6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123704705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).