(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide

C19H27N5O3 — CID 134709167

IUPAC(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESO=C(NCCN1CCNCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H27N5O3/c25-16-13-27-18(19(26)22-8-11-23-9-6-20-7-10-23)17(24(16)15-3-4-15)14-2-1-5-21-12-14/h1-2,5,12,15,17-18,20H,3-4,6-11,13H2,(H,22,26)/t17-,18+/m1/s1
InChIKeyPRAAPVYPPDUZDR-MSOLQXFVSA-N
MW373.46 g/mol
LogP-0.47
Rot. Bonds6

About (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide

(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide (PubChem CID 134709167) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
PubChem CID134709167
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESO=C(NCCN1CCNCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H27N5O3/c25-16-13-27-18(19(26)22-8-11-23-9-6-20-7-10-23)17(24(16)15-3-4-15)14-2-1-5-21-12-14/h1-2,5,12,15,17-18,20H,3-4,6-11,13H2,(H,22,26)/t17-,18+/m1/s1
InChIKeyPRAAPVYPPDUZDR-MSOLQXFVSA-N
XLogP-0.47
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide (CID 134709167) is (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide is O=C(NCCN1CCNCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide?
The InChIKey is PRAAPVYPPDUZDR-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H27N5O3/c25-16-13-27-18(19(26)22-8-11-23-9-6-20-7-10-23)17(24(16)15-3-4-15)14-2-1-5-21-12-14/h1-2,5,12,15,17-18,20H,3-4,6-11,13H2,(H,22,26)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide?
(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134709167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).