1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

C26H35FN4O2 — CID 134288497

IUPAC1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(CC(CN2CCCC2)NC(=O)C2CCN(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C26H35FN4O2/c1-19(2)33-25-10-5-20(16-28-25)15-23(18-30-12-3-4-13-30)29-26(32)21-11-14-31(17-21)24-8-6-22(27)7-9-24/h5-10,16,19,21,23H,3-4,11-15,17-18H2,1-2H3,(H,29,32)
InChIKeyVFKVESMRRJISEH-UHFFFAOYSA-N
MW454.59 g/mol
LogP3.66
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 134288497) has the molecular formula C26H35FN4O2 and a molecular weight of 454.59 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
PubChem CID134288497
Molecular FormulaC26H35FN4O2
Molecular Weight454.59 g/mol
Exact Mass454.27
IUPAC Name1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(CC(CN2CCCC2)NC(=O)C2CCN(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C26H35FN4O2/c1-19(2)33-25-10-5-20(16-28-25)15-23(18-30-12-3-4-13-30)29-26(32)21-11-14-31(17-21)24-8-6-22(27)7-9-24/h5-10,16,19,21,23H,3-4,11-15,17-18H2,1-2H3,(H,29,32)
InChIKeyVFKVESMRRJISEH-UHFFFAOYSA-N
XLogP3.66
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (CID 134288497) is 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is CC(C)Oc1ccc(CC(CN2CCCC2)NC(=O)C2CCN(c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is VFKVESMRRJISEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O2/c1-19(2)33-25-10-5-20(16-28-25)15-23(18-30-12-3-4-13-30)29-26(32)21-11-14-31(17-21)24-8-6-22(27)7-9-24/h5-10,16,19,21,23H,3-4,11-15,17-18H2,1-2H3,(H,29,32).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134288497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).