(2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide

C19H28N4O4 — CID 110197006

IUPAC(2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C19H28N4O4/c1-3-21(4-2)19(25)23-14-16(27-15-6-5-7-20-13-15)12-17(23)18(24)22-8-10-26-11-9-22/h5-7,13,16-17H,3-4,8-12,14H2,1-2H3/t16-,17+/m0/s1
InChIKeyDXOORCZFPMSBSV-DLBZAZTESA-N
MW376.46 g/mol
LogP1.22
Rot. Bonds5

About (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide

(2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 110197006) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID110197006
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C19H28N4O4/c1-3-21(4-2)19(25)23-14-16(27-15-6-5-7-20-13-15)12-17(23)18(24)22-8-10-26-11-9-22/h5-7,13,16-17H,3-4,8-12,14H2,1-2H3/t16-,17+/m0/s1
InChIKeyDXOORCZFPMSBSV-DLBZAZTESA-N
XLogP1.22
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 110197006) is (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide is CCN(CC)C(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is DXOORCZFPMSBSV-DLBZAZTESA-N. The full InChI is InChI=1S/C19H28N4O4/c1-3-21(4-2)19(25)23-14-16(27-15-6-5-7-20-13-15)12-17(23)18(24)22-8-10-26-11-9-22/h5-7,13,16-17H,3-4,8-12,14H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide?
(2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N,N-diethyl-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 110197006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).