N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide

C24H25FN4O — CID 18411927

IUPACN-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide
SMILESO=C(NC1CCN(CCc2ccc(F)cc2)C1)C(c1ccccn1)c1ccccn1
InChIInChI=1S/C24H25FN4O/c25-19-9-7-18(8-10-19)11-15-29-16-12-20(17-29)28-24(30)23(21-5-1-3-13-26-21)22-6-2-4-14-27-22/h1-10,13-14,20,23H,11-12,15-17H2,(H,28,30)
InChIKeyDKMRWYTTWFMVKM-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.18
Rot. Bonds7

About N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide

N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide (PubChem CID 18411927) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide
PubChem CID18411927
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide
SMILESO=C(NC1CCN(CCc2ccc(F)cc2)C1)C(c1ccccn1)c1ccccn1
InChIInChI=1S/C24H25FN4O/c25-19-9-7-18(8-10-19)11-15-29-16-12-20(17-29)28-24(30)23(21-5-1-3-13-26-21)22-6-2-4-14-27-22/h1-10,13-14,20,23H,11-12,15-17H2,(H,28,30)
InChIKeyDKMRWYTTWFMVKM-UHFFFAOYSA-N
XLogP3.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide (CID 18411927) is N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide is O=C(NC1CCN(CCc2ccc(F)cc2)C1)C(c1ccccn1)c1ccccn1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide?
The InChIKey is DKMRWYTTWFMVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-19-9-7-18(8-10-19)11-15-29-16-12-20(17-29)28-24(30)23(21-5-1-3-13-26-21)22-6-2-4-14-27-22/h1-10,13-14,20,23H,11-12,15-17H2,(H,28,30).
What are the key properties of N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide?
N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide has a molecular weight of 404.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2,2-dipyridin-2-ylacetamide is sourced from PubChem (CID 18411927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).