(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C15H23N3O — CID 114591779

IUPAC(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCc1ncc(N)cc1C(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C15H23N3O/c1-9-5-10(2)12(4)18(8-9)15(19)14-6-13(16)7-17-11(14)3/h6-7,9-10,12H,5,8,16H2,1-4H3
InChIKeyPQSMFSHBXXPJFJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.48
Rot. Bonds1

About (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114591779) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114591779
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCc1ncc(N)cc1C(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C15H23N3O/c1-9-5-10(2)12(4)18(8-9)15(19)14-6-13(16)7-17-11(14)3/h6-7,9-10,12H,5,8,16H2,1-4H3
InChIKeyPQSMFSHBXXPJFJ-UHFFFAOYSA-N
XLogP2.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114591779) is (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is Cc1ncc(N)cc1C(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is PQSMFSHBXXPJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9-5-10(2)12(4)18(8-9)15(19)14-6-13(16)7-17-11(14)3/h6-7,9-10,12H,5,8,16H2,1-4H3.
What are the key properties of (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114591779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).