(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

C17H21N3O3S — CID 97060192

IUPAC(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCCn1cc(NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1=O
InChIInChI=1S/C17H21N3O3S/c1-3-19-9-14(4-5-16(19)21)18-17(22)20-8-12(2)23-15(10-20)13-6-7-24-11-13/h4-7,9,11-12,15H,3,8,10H2,1-2H3,(H,18,22)/t12-,15-/m0/s1
InChIKeyYTXASLVXBFCGBG-WFASDCNBSA-N
MW347.44 g/mol
LogP2.92
Rot. Bonds3

About (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 97060192) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID97060192
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCCn1cc(NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1=O
InChIInChI=1S/C17H21N3O3S/c1-3-19-9-14(4-5-16(19)21)18-17(22)20-8-12(2)23-15(10-20)13-6-7-24-11-13/h4-7,9,11-12,15H,3,8,10H2,1-2H3,(H,18,22)/t12-,15-/m0/s1
InChIKeyYTXASLVXBFCGBG-WFASDCNBSA-N
XLogP2.92
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (CID 97060192) is (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is CCn1cc(NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1=O.
What is the InChIKey of (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is YTXASLVXBFCGBG-WFASDCNBSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-19-9-14(4-5-16(19)21)18-17(22)20-8-12(2)23-15(10-20)13-6-7-24-11-13/h4-7,9,11-12,15H,3,8,10H2,1-2H3,(H,18,22)/t12-,15-/m0/s1.
What are the key properties of (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97060192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).