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

C14H20ClN3OS — CID 114923708

IUPAC[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCCNc1cc(C(=O)N2CC(C)SC(C)C2)c(Cl)cn1
InChIInChI=1S/C14H20ClN3OS/c1-4-16-13-5-11(12(15)6-17-13)14(19)18-7-9(2)20-10(3)8-18/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyXHAQUXWVVZKHHE-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.13
Rot. Bonds3

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

[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone (PubChem CID 114923708) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
PubChem CID114923708
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCCNc1cc(C(=O)N2CC(C)SC(C)C2)c(Cl)cn1
InChIInChI=1S/C14H20ClN3OS/c1-4-16-13-5-11(12(15)6-17-13)14(19)18-7-9(2)20-10(3)8-18/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyXHAQUXWVVZKHHE-UHFFFAOYSA-N
XLogP3.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 114923995
(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923710
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 114921944
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 114922288
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588815
4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 114924047
5-chloro-2-(ethylamino)-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 104983746
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-chloro-2-(ethylamino)-4-pyridinyl]methanone
CID 114923871

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone (CID 114923708) is [5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone is CCNc1cc(C(=O)N2CC(C)SC(C)C2)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is XHAQUXWVVZKHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS/c1-4-16-13-5-11(12(15)6-17-13)14(19)18-7-9(2)20-10(3)8-18/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of [5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone?
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 313.85 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 114923708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).