[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone

C15H22ClN3O2 — CID 107394875

IUPAC[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCCC(C)(OC)C2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O2/c1-4-17-13-8-11(12(16)9-18-13)14(20)19-7-5-6-15(2,10-19)21-3/h8-9H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyHFAGPBVCBWNFCB-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.81
Rot. Bonds4

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

[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107394875) 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-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107394875
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCCC(C)(OC)C2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O2/c1-4-17-13-8-11(12(16)9-18-13)14(20)19-7-5-6-15(2,10-19)21-3/h8-9H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyHFAGPBVCBWNFCB-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588815
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923708
(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107394944
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 114924047
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-chloro-2-(ethylamino)-4-pyridinyl]methanone
CID 114923871
(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470758
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394146

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107394875) is [5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone is CCNc1cc(C(=O)N2CCCC(C)(OC)C2)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is HFAGPBVCBWNFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-4-17-13-8-11(12(16)9-18-13)14(20)19-7-5-6-15(2,10-19)21-3/h8-9H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of [5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone?
[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 311.81 g/mol, XLogP of 2.81, 4 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-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107394875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).