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

C19H21N3O3S — CID 134702197

IUPAC(2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
SMILESCN(Cc1ccsc1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H21N3O3S/c1-21(10-13-6-8-26-12-13)19(24)18-17(14-3-2-7-20-9-14)22(15-4-5-15)16(23)11-25-18/h2-3,6-9,12,15,17-18H,4-5,10-11H2,1H3/t17-,18+/m1/s1
InChIKeyQVVBSYSRFJQMLL-MSOLQXFVSA-N
MW371.46 g/mol
LogP2.23
Rot. Bonds5

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

(2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide (PubChem CID 134702197) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
PubChem CID134702197
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
SMILESCN(Cc1ccsc1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H21N3O3S/c1-21(10-13-6-8-26-12-13)19(24)18-17(14-3-2-7-20-9-14)22(15-4-5-15)16(23)11-25-18/h2-3,6-9,12,15,17-18H,4-5,10-11H2,1H3/t17-,18+/m1/s1
InChIKeyQVVBSYSRFJQMLL-MSOLQXFVSA-N
XLogP2.23
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide (CID 134702197) is (2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide is CN(Cc1ccsc1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
The InChIKey is QVVBSYSRFJQMLL-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-21(10-13-6-8-26-12-13)19(24)18-17(14-3-2-7-20-9-14)22(15-4-5-15)16(23)11-25-18/h2-3,6-9,12,15,17-18H,4-5,10-11H2,1H3/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
(2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 134702197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).