(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C12H17N3O2 — CID 103358238

IUPAC(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(O)C2)cc(N)n1
InChIInChI=1S/C12H17N3O2/c1-8-5-9(6-10(13)14-8)11(16)15-4-3-12(2,17)7-15/h5-6,17H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyBHBJNFPIDQPBGY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.57
Rot. Bonds1

About (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103358238) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103358238
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(O)C2)cc(N)n1
InChIInChI=1S/C12H17N3O2/c1-8-5-9(6-10(13)14-8)11(16)15-4-3-12(2,17)7-15/h5-6,17H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyBHBJNFPIDQPBGY-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103358238) is (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(C)(O)C2)cc(N)n1.
What is the InChIKey of (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is BHBJNFPIDQPBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-9(6-10(13)14-8)11(16)15-4-3-12(2,17)7-15/h5-6,17H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103358238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).