2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide

C11H18N4O — CID 81132413

IUPAC2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
SMILESCc1ccc(N)c(N(C)CC(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O/c1-8-5-6-9(12)11(13-8)15(4)7-10(16)14(2)3/h5-6H,7,12H2,1-4H3
InChIKeyUSQUGXIKSPRZQC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.50
Rot. Bonds3

About 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide

2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide (PubChem CID 81132413) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
PubChem CID81132413
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
SMILESCc1ccc(N)c(N(C)CC(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O/c1-8-5-6-9(12)11(13-8)15(4)7-10(16)14(2)3/h5-6H,7,12H2,1-4H3
InChIKeyUSQUGXIKSPRZQC-UHFFFAOYSA-N
XLogP0.50
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide (CID 81132413) is 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide is Cc1ccc(N)c(N(C)CC(=O)N(C)C)n1.
What is the InChIKey of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is USQUGXIKSPRZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-5-6-9(12)11(13-8)15(4)7-10(16)14(2)3/h5-6H,7,12H2,1-4H3.
What are the key properties of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 81132413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).