(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine

C17H26FN3O — CID 97233255

IUPAC(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine
SMILESCC1(C)C[C@H](N[C@@H]2CCN(c3ncccc3F)C2)C(C)(C)O1
InChIInChI=1S/C17H26FN3O/c1-16(2)10-14(17(3,4)22-16)20-12-7-9-21(11-12)15-13(18)6-5-8-19-15/h5-6,8,12,14,20H,7,9-11H2,1-4H3/t12-,14+/m1/s1
InChIKeyNYFFRXAEEGCHGA-OCCSQVGLSA-N
MW307.41 g/mol
LogP2.74
Rot. Bonds3

About (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine

(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine (PubChem CID 97233255) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine
PubChem CID97233255
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine
SMILESCC1(C)C[C@H](N[C@@H]2CCN(c3ncccc3F)C2)C(C)(C)O1
InChIInChI=1S/C17H26FN3O/c1-16(2)10-14(17(3,4)22-16)20-12-7-9-21(11-12)15-13(18)6-5-8-19-15/h5-6,8,12,14,20H,7,9-11H2,1-4H3/t12-,14+/m1/s1
InChIKeyNYFFRXAEEGCHGA-OCCSQVGLSA-N
XLogP2.74
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine 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

5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404187
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
(7R)-N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97233253
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1S)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323599
N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide
CID 97306329
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323600
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968
phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone
CID 97323716
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]urea
CID 97222896
(3S)-N-[(1S)-1-[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]ethyl]-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-amine
CID 100732502
3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine
CID 167898363

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine (CID 97233255) is (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine is CC1(C)C[C@H](N[C@@H]2CCN(c3ncccc3F)C2)C(C)(C)O1.
What is the InChIKey of (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine?
The InChIKey is NYFFRXAEEGCHGA-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-16(2)10-14(17(3,4)22-16)20-12-7-9-21(11-12)15-13(18)6-5-8-19-15/h5-6,8,12,14,20H,7,9-11H2,1-4H3/t12-,14+/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine?
(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine has a molecular weight of 307.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 97233255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).