(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C11H15N3O2 — CID 107222837

IUPAC(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1cccnc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H15N3O2/c12-9-4-1-5-13-10(9)11(16)14-6-2-3-8(15)7-14/h1,4-5,8,15H,2-3,6-7,12H2/t8-/m0/s1
InChIKeyRGVNQMDHUYZBOJ-QMMMGPOBSA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds1

About (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107222837) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107222837
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1cccnc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H15N3O2/c12-9-4-1-5-13-10(9)11(16)14-6-2-3-8(15)7-14/h1,4-5,8,15H,2-3,6-7,12H2/t8-/m0/s1
InChIKeyRGVNQMDHUYZBOJ-QMMMGPOBSA-N
XLogP0.26
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
(2-hydrazinyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62249880
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
(3-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 104742142

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107222837) is (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is Nc1cccnc1C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is RGVNQMDHUYZBOJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-9-4-1-5-13-10(9)11(16)14-6-2-3-8(15)7-14/h1,4-5,8,15H,2-3,6-7,12H2/t8-/m0/s1.
What are the key properties of (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 221.26 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107222837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).