(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C24H31FN4O — CID 59788097

IUPAC(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCN(c1cccc([C@@H]2CCCN2C(=O)[C@@H](N)C2CCCCC2)n1)c1ccccc1F
InChIInChI=1S/C24H31FN4O/c1-28(20-13-6-5-11-18(20)25)22-15-7-12-19(27-22)21-14-8-16-29(21)24(30)23(26)17-9-3-2-4-10-17/h5-7,11-13,15,17,21,23H,2-4,8-10,14,16,26H2,1H3/t21-,23-/m0/s1
InChIKeyPFNKGPUEBUUELO-GMAHTHKFSA-N
MW410.54 g/mol
LogP4.56
Rot. Bonds5

About (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone

(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 59788097) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID59788097
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCN(c1cccc([C@@H]2CCCN2C(=O)[C@@H](N)C2CCCCC2)n1)c1ccccc1F
InChIInChI=1S/C24H31FN4O/c1-28(20-13-6-5-11-18(20)25)22-15-7-12-19(27-22)21-14-8-16-29(21)24(30)23(26)17-9-3-2-4-10-17/h5-7,11-13,15,17,21,23H,2-4,8-10,14,16,26H2,1H3/t21-,23-/m0/s1
InChIKeyPFNKGPUEBUUELO-GMAHTHKFSA-N
XLogP4.56
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone 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 (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 59788097) is (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone is CN(c1cccc([C@@H]2CCCN2C(=O)[C@@H](N)C2CCCCC2)n1)c1ccccc1F.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is PFNKGPUEBUUELO-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-28(20-13-6-5-11-18(20)25)22-15-7-12-19(27-22)21-14-8-16-29(21)24(30)23(26)17-9-3-2-4-10-17/h5-7,11-13,15,17,21,23H,2-4,8-10,14,16,26H2,1H3/t21-,23-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 410.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 59788097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).