3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide

C25H24FN3O2 — CID 118304775

IUPAC3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C25H24FN3O2/c26-19-6-9-21(10-7-19)31-24-11-8-20(15-28-24)29-25(30)18-3-1-2-17(12-18)22-13-23(22)27-14-16-4-5-16/h1-3,6-12,15-16,22-23,27H,4-5,13-14H2,(H,29,30)
InChIKeyVFKQITJLCTXEJH-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.12
Rot. Bonds8

About 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide

3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide (PubChem CID 118304775) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
PubChem CID118304775
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C25H24FN3O2/c26-19-6-9-21(10-7-19)31-24-11-8-20(15-28-24)29-25(30)18-3-1-2-17(12-18)22-13-23(22)27-14-16-4-5-16/h1-3,6-12,15-16,22-23,27H,4-5,13-14H2,(H,29,30)
InChIKeyVFKQITJLCTXEJH-UHFFFAOYSA-N
XLogP5.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide?
The IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide (CID 118304775) is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccc(C2CC2NCC2CC2)c1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide?
The InChIKey is VFKQITJLCTXEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-19-6-9-21(10-7-19)31-24-11-8-20(15-28-24)29-25(30)18-3-1-2-17(12-18)22-13-23(22)27-14-16-4-5-16/h1-3,6-12,15-16,22-23,27H,4-5,13-14H2,(H,29,30).
What are the key properties of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide?
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide has a molecular weight of 417.48 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 118304775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).