(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C21H25FN4O — CID 124831990

IUPAC(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H]1c1ccncc1
InChIInChI=1S/C21H25FN4O/c22-18-3-5-19(6-4-18)25-13-9-16(15-25)14-24-21(27)26-12-1-2-20(26)17-7-10-23-11-8-17/h3-8,10-11,16,20H,1-2,9,12-15H2,(H,24,27)/t16-,20+/m1/s1
InChIKeyGFMYNIWLUQZLBG-UZLBHIALSA-N
MW368.46 g/mol
LogP3.59
Rot. Bonds4

About (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 124831990) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID124831990
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H]1c1ccncc1
InChIInChI=1S/C21H25FN4O/c22-18-3-5-19(6-4-18)25-13-9-16(15-25)14-24-21(27)26-12-1-2-20(26)17-7-10-23-11-8-17/h3-8,10-11,16,20H,1-2,9,12-15H2,(H,24,27)/t16-,20+/m1/s1
InChIKeyGFMYNIWLUQZLBG-UZLBHIALSA-N
XLogP3.59
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52512945
2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide
CID 60583588
(2S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94058768
(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide
CID 94336529
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
4-(azepan-1-ylmethyl)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 52536649
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403
(2R,6S)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95161107
1-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 56819732
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87007306

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 124831990) is (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H]1c1ccncc1.
What is the InChIKey of (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is GFMYNIWLUQZLBG-UZLBHIALSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-18-3-5-19(6-4-18)25-13-9-16(15-25)14-24-21(27)26-12-1-2-20(26)17-7-10-23-11-8-17/h3-8,10-11,16,20H,1-2,9,12-15H2,(H,24,27)/t16-,20+/m1/s1.
What are the key properties of (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 124831990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).