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

C11H15N3O2 — CID 107211702

IUPAC(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC[C@H](O)C2)nc1
InChIInChI=1S/C11H15N3O2/c12-8-3-4-10(13-6-8)11(16)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,12H2/t9-/m0/s1
InChIKeyNMEQQNCXZBFRLX-VIFPVBQESA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds1

About (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107211702) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107211702
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC[C@H](O)C2)nc1
InChIInChI=1S/C11H15N3O2/c12-8-3-4-10(13-6-8)11(16)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,12H2/t9-/m0/s1
InChIKeyNMEQQNCXZBFRLX-VIFPVBQESA-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

[6-[(3S)-3-hydroxypiperidine-1-carbonyl]-3-pyridinyl] carbamate
CID 174952249
(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone
CID 149181615
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 81310359
(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 138985813
N-[1-(5-aminopyridine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 81310797
(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone
CID 170207899
(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107211702) is (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is Nc1ccc(C(=O)N2CCC[C@H](O)C2)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is NMEQQNCXZBFRLX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O2/c12-8-3-4-10(13-6-8)11(16)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,12H2/t9-/m0/s1.
What are the key properties of (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(5-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 (5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107211702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).