3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide

C21H24N4O4 — CID 91904308

IUPAC3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(Oc2ncccc2C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H24N4O4/c26-20(24-11-13-28-14-12-24)18-7-4-9-22-19(18)29-17-8-10-25(15-17)21(27)23-16-5-2-1-3-6-16/h1-7,9,17H,8,10-15H2,(H,23,27)
InChIKeyFHFQLEFTZHQIDL-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.24
Rot. Bonds4

About 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide

3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide (PubChem CID 91904308) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
PubChem CID91904308
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(Oc2ncccc2C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H24N4O4/c26-20(24-11-13-28-14-12-24)18-7-4-9-22-19(18)29-17-8-10-25(15-17)21(27)23-16-5-2-1-3-6-16/h1-7,9,17H,8,10-15H2,(H,23,27)
InChIKeyFHFQLEFTZHQIDL-UHFFFAOYSA-N
XLogP2.24
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide (CID 91904308) is 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(Oc2ncccc2C(=O)N2CCOCC2)C1.
What is the InChIKey of 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is FHFQLEFTZHQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-20(24-11-13-28-14-12-24)18-7-4-9-22-19(18)29-17-8-10-25(15-17)21(27)23-16-5-2-1-3-6-16/h1-7,9,17H,8,10-15H2,(H,23,27).
What are the key properties of 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide?
3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91904308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).