1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine

C20H25FN4 — CID 75428603

IUPAC1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine
SMILESFc1cccnc1N1CCC(NC2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H25FN4/c21-19-7-4-10-22-20(19)25-12-9-18(15-25)23-17-8-11-24(14-17)13-16-5-2-1-3-6-16/h1-7,10,17-18,23H,8-9,11-15H2
InChIKeyRYNMJYCZXHVAPI-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.66
Rot. Bonds5

About 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine

1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine (PubChem CID 75428603) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine
PubChem CID75428603
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine
SMILESFc1cccnc1N1CCC(NC2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H25FN4/c21-19-7-4-10-22-20(19)25-12-9-18(15-25)23-17-8-11-24(14-17)13-16-5-2-1-3-6-16/h1-7,10,17-18,23H,8-9,11-15H2
InChIKeyRYNMJYCZXHVAPI-UHFFFAOYSA-N
XLogP2.66
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine (CID 75428603) is 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine is Fc1cccnc1N1CCC(NC2CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine?
The InChIKey is RYNMJYCZXHVAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c21-19-7-4-10-22-20(19)25-12-9-18(15-25)23-17-8-11-24(14-17)13-16-5-2-1-3-6-16/h1-7,10,17-18,23H,8-9,11-15H2.
What are the key properties of 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine?
1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine has a molecular weight of 340.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 75428603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).