(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone

C12H17N3O — CID 81319885

IUPAC(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(N)cn1
InChIInChI=1S/C12H17N3O/c1-9-4-2-3-7-15(9)12(16)11-6-5-10(13)8-14-11/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyMIZFOHIUKSHNQA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.68
Rot. Bonds1

About (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone

(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 81319885) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID81319885
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(N)cn1
InChIInChI=1S/C12H17N3O/c1-9-4-2-3-7-15(9)12(16)11-6-5-10(13)8-14-11/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyMIZFOHIUKSHNQA-UHFFFAOYSA-N
XLogP1.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 104642325
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-amino-2-pyridinyl)methanone
CID 82747718
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
CID 77005324
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone (CID 81319885) is (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(N)cn1.
What is the InChIKey of (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is MIZFOHIUKSHNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-4-2-3-7-15(9)12(16)11-6-5-10(13)8-14-11/h5-6,8-9H,2-4,7,13H2,1H3.
What are the key properties of (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81319885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).