(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine

C20H21FN4 — CID 97323600

IUPAC(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
SMILESC[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc2ccccc2n1
InChIInChI=1S/C20H21FN4/c1-14(18-9-8-15-5-2-3-7-19(15)24-18)23-16-10-12-25(13-16)20-17(21)6-4-11-22-20/h2-9,11,14,16,23H,10,12-13H2,1H3/t14-,16+/m1/s1
InChIKeyDSCVZDJDOYTSMP-ZBFHGGJFSA-N
MW336.41 g/mol
LogP3.70
Rot. Bonds4

About (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine

(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine (PubChem CID 97323600) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
PubChem CID97323600
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
SMILESC[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc2ccccc2n1
InChIInChI=1S/C20H21FN4/c1-14(18-9-8-15-5-2-3-7-19(15)24-18)23-16-10-12-25(13-16)20-17(21)6-4-11-22-20/h2-9,11,14,16,23H,10,12-13H2,1H3/t14-,16+/m1/s1
InChIKeyDSCVZDJDOYTSMP-ZBFHGGJFSA-N
XLogP3.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1S)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323599
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine
CID 99620171
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491003
(3S)-N-[(1S)-1-[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]ethyl]-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-amine
CID 100732502
N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 67408270
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968
(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine
CID 97233255
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404187
N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide
CID 97306329
2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412333

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine (CID 97323600) is (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine is C[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc2ccccc2n1.
What is the InChIKey of (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine?
The InChIKey is DSCVZDJDOYTSMP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H21FN4/c1-14(18-9-8-15-5-2-3-7-19(15)24-18)23-16-10-12-25(13-16)20-17(21)6-4-11-22-20/h2-9,11,14,16,23H,10,12-13H2,1H3/t14-,16+/m1/s1.
What are the key properties of (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine?
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine has a molecular weight of 336.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine is sourced from PubChem (CID 97323600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).