(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C12H17N3O2 — CID 114681656

IUPAC(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccnc2N)CCC1O
InChIInChI=1S/C12H17N3O2/c1-8-7-15(6-4-10(8)16)12(17)9-3-2-5-14-11(9)13/h2-3,5,8,10,16H,4,6-7H2,1H3,(H2,13,14)
InChIKeyMXLPIQXPRPUXPQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.51
Rot. Bonds1

About (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114681656) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114681656
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccnc2N)CCC1O
InChIInChI=1S/C12H17N3O2/c1-8-7-15(6-4-10(8)16)12(17)9-3-2-5-14-11(9)13/h2-3,5,8,10,16H,4,6-7H2,1H3,(H2,13,14)
InChIKeyMXLPIQXPRPUXPQ-UHFFFAOYSA-N
XLogP0.51
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114681656) is (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2cccnc2N)CCC1O.
What is the InChIKey of (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is MXLPIQXPRPUXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-7-15(6-4-10(8)16)12(17)9-3-2-5-14-11(9)13/h2-3,5,8,10,16H,4,6-7H2,1H3,(H2,13,14).
What are the key properties of (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114681656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).