[5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone

C15H22ClN3OS — CID 114924716

IUPAC[5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCCNc1cc(C(=O)N2CCSC(CC)C2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3OS/c1-3-5-17-14-8-12(13(16)9-18-14)15(20)19-6-7-21-11(4-2)10-19/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyGTNSIPOANBBUHJ-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.52
Rot. Bonds5

About [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone

[5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone (PubChem CID 114924716) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone
PubChem CID114924716
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name[5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCCNc1cc(C(=O)N2CCSC(CC)C2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3OS/c1-3-5-17-14-8-12(13(16)9-18-14)15(20)19-6-7-21-11(4-2)10-19/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyGTNSIPOANBBUHJ-UHFFFAOYSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 114921944
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 114923995
[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 114923464
[5-chloro-2-(propylamino)-4-pyridinyl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 114922446
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923708
(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 106687317
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 114922944
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
[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
(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 114924651
4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 114924047

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone?
The IUPAC name of [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone (CID 114924716) is [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone?
The canonical SMILES for [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone is CCCNc1cc(C(=O)N2CCSC(CC)C2)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone?
The InChIKey is GTNSIPOANBBUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c1-3-5-17-14-8-12(13(16)9-18-14)15(20)19-6-7-21-11(4-2)10-19/h8-9,11H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone?
[5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone has a molecular weight of 327.88 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 114924716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).