(2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone

C15H23N3OS — CID 104641462

IUPAC(2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CC(C)SC(C)C2)nc1
InChIInChI=1S/C15H23N3OS/c1-4-7-16-13-5-6-14(17-8-13)15(19)18-9-11(2)20-12(3)10-18/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3
InChIKeyFTDQHAPDWCZOBW-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.87
Rot. Bonds4

About (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone

(2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone (PubChem CID 104641462) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone
PubChem CID104641462
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CC(C)SC(C)C2)nc1
InChIInChI=1S/C15H23N3OS/c1-4-7-16-13-5-6-14(17-8-13)15(19)18-9-11(2)20-12(3)10-18/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3
InChIKeyFTDQHAPDWCZOBW-UHFFFAOYSA-N
XLogP2.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylmorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 104639909
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 102964768
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 114681667
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104642023
1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one
CID 104641244
(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641413
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964695
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182598
[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183238
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone (CID 104641462) is (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone is CCCNc1ccc(C(=O)N2CC(C)SC(C)C2)nc1.
What is the InChIKey of (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone?
The InChIKey is FTDQHAPDWCZOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-7-16-13-5-6-14(17-8-13)15(19)18-9-11(2)20-12(3)10-18/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3.
What are the key properties of (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone?
(2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone has a molecular weight of 293.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 104641462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).