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

C14H21N3O2 — CID 102964695

IUPAC[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCC(C)C(O)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-3-15-11-4-5-12(16-8-11)14(19)17-7-6-10(2)13(18)9-17/h4-5,8,10,13,15,18H,3,6-7,9H2,1-2H3
InChIKeyPBNBVALIHVBCIE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.36
Rot. Bonds3

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

[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102964695) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102964695
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCC(C)C(O)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-3-15-11-4-5-12(16-8-11)14(19)17-7-6-10(2)13(18)9-17/h4-5,8,10,13,15,18H,3,6-7,9H2,1-2H3
InChIKeyPBNBVALIHVBCIE-UHFFFAOYSA-N
XLogP1.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 102964768
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 114681667
[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 104641208
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
CID 104641489
6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 103900440
(3,4-dimethylpiperidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107376989
5-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 113348340
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104642023
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102963953
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102964695) is [5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CCNc1ccc(C(=O)N2CCC(C)C(O)C2)nc1.
What is the InChIKey of [5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is PBNBVALIHVBCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-15-11-4-5-12(16-8-11)14(19)17-7-6-10(2)13(18)9-17/h4-5,8,10,13,15,18H,3,6-7,9H2,1-2H3.
What are the key properties of [5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102964695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).