[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone

C16H25N3O — CID 114596554

IUPAC[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H25N3O/c1-10-6-11(2)13(4)19(9-10)16(20)14-8-18-12(3)7-15(14)17-5/h7-8,10-11,13H,6,9H2,1-5H3,(H,17,18)
InChIKeyHGAHOURTQCNYBE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.94
Rot. Bonds2

About [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone

[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114596554) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114596554
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H25N3O/c1-10-6-11(2)13(4)19(9-10)16(20)14-8-18-12(3)7-15(14)17-5/h7-8,10-11,13H,6,9H2,1-5H3,(H,17,18)
InChIKeyHGAHOURTQCNYBE-UHFFFAOYSA-N
XLogP2.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591779
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81256333
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81240172
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596633
[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81241168
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81237800
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81238240
(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594553
[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81243142
(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591834
(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593572
(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591861

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114596554) is [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone is CNc1cc(C)ncc1C(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is HGAHOURTQCNYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10-6-11(2)13(4)19(9-10)16(20)14-8-18-12(3)7-15(14)17-5/h7-8,10-11,13H,6,9H2,1-5H3,(H,17,18).
What are the key properties of [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).