[5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C19H24ClN3O2S — CID 133412769

IUPAC[5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCCc1sc(C(C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)cc1C
InChIInChI=1S/C19H24ClN3O2S/c1-4-16-12(2)9-17(26-16)13(3)22-18-15(20)10-14(11-21-18)19(24)23-5-7-25-8-6-23/h9-11,13H,4-8H2,1-3H3,(H,21,22)
InChIKeyUGBHLYMPSKWUJT-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.31
Rot. Bonds5

About [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133412769) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133412769
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name[5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCCc1sc(C(C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)cc1C
InChIInChI=1S/C19H24ClN3O2S/c1-4-16-12(2)9-17(26-16)13(3)22-18-15(20)10-14(11-21-18)19(24)23-5-7-25-8-6-23/h9-11,13H,4-8H2,1-3H3,(H,21,22)
InChIKeyUGBHLYMPSKWUJT-UHFFFAOYSA-N
XLogP4.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133412769) is [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is CCc1sc(C(C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)cc1C.
What is the InChIKey of [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is UGBHLYMPSKWUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-4-16-12(2)9-17(26-16)13(3)22-18-15(20)10-14(11-21-18)19(24)23-5-7-25-8-6-23/h9-11,13H,4-8H2,1-3H3,(H,21,22).
What are the key properties of [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 393.94 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133412769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).