[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

C15H22ClN3O — CID 104968832

IUPAC[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1Cl
InChIInChI=1S/C15H22ClN3O/c1-4-17-14-13(16)8-12(9-18-14)15(20)19-10(2)6-5-7-11(19)3/h8-11H,4-7H2,1-3H3,(H,17,18)/t10-,11+
InChIKeyHZQAKZOYUPUSIQ-PHIMTYICSA-N
MW295.81 g/mol
LogP3.57
Rot. Bonds3

About [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 104968832) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID104968832
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1Cl
InChIInChI=1S/C15H22ClN3O/c1-4-17-14-13(16)8-12(9-18-14)15(20)19-10(2)6-5-7-11(19)3/h8-11H,4-7H2,1-3H3,(H,17,18)/t10-,11+
InChIKeyHZQAKZOYUPUSIQ-PHIMTYICSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538359
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone
CID 23725919
5-chloro-N-cyclopropyl-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 62169291
5-chloro-6-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071772
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 62180970
5-chloro-6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62171335

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 104968832) is [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is CCNc1ncc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1Cl.
What is the InChIKey of [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is HZQAKZOYUPUSIQ-PHIMTYICSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-4-17-14-13(16)8-12(9-18-14)15(20)19-10(2)6-5-7-11(19)3/h8-11H,4-7H2,1-3H3,(H,17,18)/t10-,11+.
What are the key properties of [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 295.81 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 104968832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).