(2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone

C13H20N4O — CID 79658548

IUPAC(2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone
SMILESCc1cnc(N)c(C(=O)C2CN(C)CCN2C)c1
InChIInChI=1S/C13H20N4O/c1-9-6-10(13(14)15-7-9)12(18)11-8-16(2)4-5-17(11)3/h6-7,11H,4-5,8H2,1-3H3,(H2,14,15)
InChIKeyKKBDIYLVXBUKKK-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.40
Rot. Bonds2

About (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone

(2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone (PubChem CID 79658548) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone
PubChem CID79658548
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone
SMILESCc1cnc(N)c(C(=O)C2CN(C)CCN2C)c1
InChIInChI=1S/C13H20N4O/c1-9-6-10(13(14)15-7-9)12(18)11-8-16(2)4-5-17(11)3/h6-7,11H,4-5,8H2,1-3H3,(H2,14,15)
InChIKeyKKBDIYLVXBUKKK-UHFFFAOYSA-N
XLogP0.40
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
CID 116583846
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
1-[4-(2-amino-5-methylpyridine-3-carbonyl)piperidin-1-yl]-2-methylprop-2-en-1-one
CID 95857772
1-(2-amino-5-methyl-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414904
(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725716
1-(2-amino-5-methyl-3-pyridinyl)-2-piperidin-4-ylethanone
CID 116560007
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
(2-amino-5-methyl-3-pyridinyl)-morpholin-3-ylmethanone
CID 116576396
(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009
2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone
CID 130913857
(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone
CID 79659060
(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
CID 104659366

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone?
The IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone (CID 79658548) is (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone.
What is the SMILES notation for (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone?
The canonical SMILES for (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone is Cc1cnc(N)c(C(=O)C2CN(C)CCN2C)c1.
What is the InChIKey of (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone?
The InChIKey is KKBDIYLVXBUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-6-10(13(14)15-7-9)12(18)11-8-16(2)4-5-17(11)3/h6-7,11H,4-5,8H2,1-3H3,(H2,14,15).
What are the key properties of (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone?
(2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone is sourced from PubChem (CID 79658548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).