[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone

C13H20N4O3S — CID 81237800

IUPAC[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N4O3S/c1-10-8-12(14-2)11(9-15-10)13(18)16-4-6-17(7-5-16)21(3,19)20/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyPLMQPIGHKMELHH-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.15
Rot. Bonds3

About [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone

[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 81237800) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID81237800
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N4O3S/c1-10-8-12(14-2)11(9-15-10)13(18)16-4-6-17(7-5-16)21(3,19)20/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyPLMQPIGHKMELHH-UHFFFAOYSA-N
XLogP0.15
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81243142
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylpiperazin-1-yl)methanone
CID 81236525
1-[6-methyl-4-(methylamino)pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 81241104
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81238240
[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81241168
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone
CID 81235678
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81240172
(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81249021
[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596554
(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122985
[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 62992096
8-azaspiro[4.5]decan-8-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81245839

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 81237800) is [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone is CNc1cc(C)ncc1C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is PLMQPIGHKMELHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-10-8-12(14-2)11(9-15-10)13(18)16-4-6-17(7-5-16)21(3,19)20/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 312.39 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 81237800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).