2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide

C20H22FN3O4 — CID 166402370

IUPAC2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide
SMILESO=C(N[C@@H]1CN(C(=O)c2ccnc(-c3ccco3)c2)C[C@H]1O)C(F)C1CCC1
InChIInChI=1S/C20H22FN3O4/c21-18(12-3-1-4-12)19(26)23-15-10-24(11-16(15)25)20(27)13-6-7-22-14(9-13)17-5-2-8-28-17/h2,5-9,12,15-16,18,25H,1,3-4,10-11H2,(H,23,26)/t15-,16-,18?/m1/s1
InChIKeyKPTPLQWOWKURMK-JNIOUFIGSA-N
MW387.41 g/mol
LogP1.78
Rot. Bonds5

About 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide

2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide (PubChem CID 166402370) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide
PubChem CID166402370
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide
SMILESO=C(N[C@@H]1CN(C(=O)c2ccnc(-c3ccco3)c2)C[C@H]1O)C(F)C1CCC1
InChIInChI=1S/C20H22FN3O4/c21-18(12-3-1-4-12)19(26)23-15-10-24(11-16(15)25)20(27)13-6-7-22-14(9-13)17-5-2-8-28-17/h2,5-9,12,15-16,18,25H,1,3-4,10-11H2,(H,23,26)/t15-,16-,18?/m1/s1
InChIKeyKPTPLQWOWKURMK-JNIOUFIGSA-N
XLogP1.78
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide 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

2-cyclobutyl-N-[(3R,4R)-1-[3-(2,5-dihydropyrrol-1-yl)benzoyl]-4-hydroxypyrrolidin-3-yl]-2-hydroxyacetamide
CID 167820333
[2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 136586594
[2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
CID 154806194
N-cyclopropyl-2-(furan-2-yl)-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 138023621
2-(furan-2-yl)-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)pyridine-4-carboxamide
CID 167981378
[2-(furan-2-yl)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 166256369
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
3-azabicyclo[3.3.1]nonan-3-yl-(2-bromo-4-pyridinyl)methanone
CID 114196387
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487594
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide?
The IUPAC name of 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide (CID 166402370) is 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide is O=C(N[C@@H]1CN(C(=O)c2ccnc(-c3ccco3)c2)C[C@H]1O)C(F)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide?
The InChIKey is KPTPLQWOWKURMK-JNIOUFIGSA-N. The full InChI is InChI=1S/C20H22FN3O4/c21-18(12-3-1-4-12)19(26)23-15-10-24(11-16(15)25)20(27)13-6-7-22-14(9-13)17-5-2-8-28-17/h2,5-9,12,15-16,18,25H,1,3-4,10-11H2,(H,23,26)/t15-,16-,18?/m1/s1.
What are the key properties of 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide?
2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 166402370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).