2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide

C11H18N4O2 — CID 54950923

IUPAC2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
SMILESCOc1nc(NC(C)C(=O)N(C)C)ccc1N
InChIInChI=1S/C11H18N4O2/c1-7(11(16)15(2)3)13-9-6-5-8(12)10(14-9)17-4/h5-7H,12H2,1-4H3,(H,13,14)
InChIKeyXODXRBKFSADSOQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.56
Rot. Bonds4

About 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide

2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide (PubChem CID 54950923) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
PubChem CID54950923
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
SMILESCOc1nc(NC(C)C(=O)N(C)C)ccc1N
InChIInChI=1S/C11H18N4O2/c1-7(11(16)15(2)3)13-9-6-5-8(12)10(14-9)17-4/h5-7H,12H2,1-4H3,(H,13,14)
InChIKeyXODXRBKFSADSOQ-UHFFFAOYSA-N
XLogP0.56
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide (CID 54950923) is 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide is COc1nc(NC(C)C(=O)N(C)C)ccc1N.
What is the InChIKey of 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide?
The InChIKey is XODXRBKFSADSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(11(16)15(2)3)13-9-6-5-8(12)10(14-9)17-4/h5-7H,12H2,1-4H3,(H,13,14).
What are the key properties of 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide?
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54950923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).