2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid

C18H20FN3O2 — CID 44592258

IUPAC2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CCCC2)n1
InChIInChI=1S/C18H20FN3O2/c1-12-8-14(19)4-5-16(12)20-11-15-9-13(18(23)24)10-17(21-15)22-6-2-3-7-22/h4-5,8-10,20H,2-3,6-7,11H2,1H3,(H,23,24)
InChIKeyFTPASMIELNNVJP-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.44
Rot. Bonds5

About 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid

2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid (PubChem CID 44592258) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid
PubChem CID44592258
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CCCC2)n1
InChIInChI=1S/C18H20FN3O2/c1-12-8-14(19)4-5-16(12)20-11-15-9-13(18(23)24)10-17(21-15)22-6-2-3-7-22/h4-5,8-10,20H,2-3,6-7,11H2,1H3,(H,23,24)
InChIKeyFTPASMIELNNVJP-UHFFFAOYSA-N
XLogP3.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid (CID 44592258) is 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid is Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CCCC2)n1.
What is the InChIKey of 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid?
The InChIKey is FTPASMIELNNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-8-14(19)4-5-16(12)20-11-15-9-13(18(23)24)10-17(21-15)22-6-2-3-7-22/h4-5,8-10,20H,2-3,6-7,11H2,1H3,(H,23,24).
What are the key properties of 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid?
2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid has a molecular weight of 329.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 44592258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).