2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide

C20H27N3O2S — CID 136514767

IUPAC2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)N1CC(C)OC(c2ccsc2)C1)C(C)C
InChIInChI=1S/C20H27N3O2S/c1-13(2)18(19-14(3)6-5-8-21-19)22-20(24)23-10-15(4)25-17(11-23)16-7-9-26-12-16/h5-9,12-13,15,17-18H,10-11H2,1-4H3,(H,22,24)
InChIKeyDFYBLAUOMIAAQU-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.32
Rot. Bonds4

About 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide

2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 136514767) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID136514767
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)N1CC(C)OC(c2ccsc2)C1)C(C)C
InChIInChI=1S/C20H27N3O2S/c1-13(2)18(19-14(3)6-5-8-21-19)22-20(24)23-10-15(4)25-17(11-23)16-7-9-26-12-16/h5-9,12-13,15,17-18H,10-11H2,1-4H3,(H,22,24)
InChIKeyDFYBLAUOMIAAQU-UHFFFAOYSA-N
XLogP4.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919519
(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 100876796
N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919520
(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97074965
1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97225798
(2S,6R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97320853
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851920
(2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093234
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093261
(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 125138480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide (CID 136514767) is 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide is Cc1cccnc1C(NC(=O)N1CC(C)OC(c2ccsc2)C1)C(C)C.
What is the InChIKey of 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is DFYBLAUOMIAAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-13(2)18(19-14(3)6-5-8-21-19)22-20(24)23-10-15(4)25-17(11-23)16-7-9-26-12-16/h5-9,12-13,15,17-18H,10-11H2,1-4H3,(H,22,24).
What are the key properties of 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide?
2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 136514767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).