(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C13H19N3O2 — CID 107216905

IUPAC(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1cccnc1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H19N3O2/c14-11-4-1-6-15-12(11)13(18)16-7-2-3-10(9-16)5-8-17/h1,4,6,10,17H,2-3,5,7-9,14H2
InChIKeyIELMBEYGMAANQB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.90
Rot. Bonds3

About (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107216905) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107216905
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1cccnc1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H19N3O2/c14-11-4-1-6-15-12(11)13(18)16-7-2-3-10(9-16)5-8-17/h1,4,6,10,17H,2-3,5,7-9,14H2
InChIKeyIELMBEYGMAANQB-UHFFFAOYSA-N
XLogP0.90
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
CID 107228275
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209753
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107523740
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975
[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 24964973
(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107216905) is (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is Nc1cccnc1C(=O)N1CCCC(CCO)C1.
What is the InChIKey of (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is IELMBEYGMAANQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11-4-1-6-15-12(11)13(18)16-7-2-3-10(9-16)5-8-17/h1,4,6,10,17H,2-3,5,7-9,14H2.
What are the key properties of (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107216905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).