[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone

C15H22ClN3O2 — CID 106588815

IUPAC[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCCNc1cc(C(=O)N2CCCC(COC)C2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O2/c1-3-17-14-7-12(13(16)8-18-14)15(20)19-6-4-5-11(9-19)10-21-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyJBPRFBZHWLKNJV-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.67
Rot. Bonds5

About [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone

[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 106588815) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID106588815
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCCNc1cc(C(=O)N2CCCC(COC)C2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O2/c1-3-17-14-7-12(13(16)8-18-14)15(20)19-6-4-5-11(9-19)10-21-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyJBPRFBZHWLKNJV-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
[5-chloro-2-(ethylamino)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103529941
[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394875
(2-amino-5-chloro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114923810
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923708
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-chloro-2-(ethylamino)-4-pyridinyl]methanone
CID 114923871
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 114923201
4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 114924047
[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 114923464

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 106588815) is [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone is CCNc1cc(C(=O)N2CCCC(COC)C2)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is JBPRFBZHWLKNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-17-14-7-12(13(16)8-18-14)15(20)19-6-4-5-11(9-19)10-21-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 311.81 g/mol, XLogP of 2.67, 5 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]-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106588815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).