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

C17H20ClN3O2S — CID 133273417

IUPAC[5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)s1
InChIInChI=1S/C17H20ClN3O2S/c1-11-3-4-15(24-11)12(2)20-16-14(18)9-13(10-19-16)17(22)21-5-7-23-8-6-21/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20)
InChIKeyPWJPOCRUQKIMGD-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.75
Rot. Bonds4

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

[5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273417) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is [5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273417
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name[5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)s1
InChIInChI=1S/C17H20ClN3O2S/c1-11-3-4-15(24-11)12(2)20-16-14(18)9-13(10-19-16)17(22)21-5-7-23-8-6-21/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20)
InChIKeyPWJPOCRUQKIMGD-UHFFFAOYSA-N
XLogP3.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133412769
[5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 95187057
[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293846
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81440150
[5-chloro-6-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133417484
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273383
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999377
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273417) is [5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is Cc1ccc(C(C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)s1.
What is the InChIKey of [5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is PWJPOCRUQKIMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-11-3-4-15(24-11)12(2)20-16-14(18)9-13(10-19-16)17(22)21-5-7-23-8-6-21/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20).
What are the key properties of [5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 365.89 g/mol, XLogP of 3.75, 4 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-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).