3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide

C11H18N4O — CID 66280637

IUPAC3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide
SMILESCc1cnc(NCCC(=O)N(C)C)c(N)c1
InChIInChI=1S/C11H18N4O/c1-8-6-9(12)11(14-7-8)13-5-4-10(16)15(2)3/h6-7H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyIZSLUIQMEGAWDD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.86
Rot. Bonds4

About 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide

3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide (PubChem CID 66280637) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide
PubChem CID66280637
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide
SMILESCc1cnc(NCCC(=O)N(C)C)c(N)c1
InChIInChI=1S/C11H18N4O/c1-8-6-9(12)11(14-7-8)13-5-4-10(16)15(2)3/h6-7H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyIZSLUIQMEGAWDD-UHFFFAOYSA-N
XLogP0.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide (CID 66280637) is 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide is Cc1cnc(NCCC(=O)N(C)C)c(N)c1.
What is the InChIKey of 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide?
The InChIKey is IZSLUIQMEGAWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-6-9(12)11(14-7-8)13-5-4-10(16)15(2)3/h6-7H,4-5,12H2,1-3H3,(H,13,14).
What are the key properties of 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide?
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 66280637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).