(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide

C20H22N4O3 — CID 134709742

IUPAC(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
SMILESO=C(NCCc1cccnc1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C20H22N4O3/c25-17-13-27-19(20(26)23-10-7-14-3-1-8-21-11-14)18(24(17)16-5-6-16)15-4-2-9-22-12-15/h1-4,8-9,11-12,16,18-19H,5-7,10,13H2,(H,23,26)/t18-,19+/m1/s1
InChIKeyWJUNNFKTEYININ-MOPGFXCFSA-N
MW366.42 g/mol
LogP1.27
Rot. Bonds6

About (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide

(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide (PubChem CID 134709742) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
PubChem CID134709742
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
SMILESO=C(NCCc1cccnc1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C20H22N4O3/c25-17-13-27-19(20(26)23-10-7-14-3-1-8-21-11-14)18(24(17)16-5-6-16)15-4-2-9-22-12-15/h1-4,8-9,11-12,16,18-19H,5-7,10,13H2,(H,23,26)/t18-,19+/m1/s1
InChIKeyWJUNNFKTEYININ-MOPGFXCFSA-N
XLogP1.27
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide (CID 134709742) is (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide is O=C(NCCc1cccnc1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide?
The InChIKey is WJUNNFKTEYININ-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-17-13-27-19(20(26)23-10-7-14-3-1-8-21-11-14)18(24(17)16-5-6-16)15-4-2-9-22-12-15/h1-4,8-9,11-12,16,18-19H,5-7,10,13H2,(H,23,26)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide?
(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide is sourced from PubChem (CID 134709742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).