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

C10H16N4O — CID 81132412

IUPAC2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nc(C)ccc1N
InChIInChI=1S/C10H16N4O/c1-7-4-5-8(11)10(13-7)14(3)6-9(15)12-2/h4-5H,6,11H2,1-3H3,(H,12,15)
InChIKeyOZDBKEQFOCMHFD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.15
Rot. Bonds3

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

2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide (PubChem CID 81132412) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide
PubChem CID81132412
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nc(C)ccc1N
InChIInChI=1S/C10H16N4O/c1-7-4-5-8(11)10(13-7)14(3)6-9(15)12-2/h4-5H,6,11H2,1-3H3,(H,12,15)
InChIKeyOZDBKEQFOCMHFD-UHFFFAOYSA-N
XLogP0.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
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-methylacetamide?
The IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide (CID 81132412) is 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1nc(C)ccc1N.
What is the InChIKey of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide?
The InChIKey is OZDBKEQFOCMHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-4-5-8(11)10(13-7)14(3)6-9(15)12-2/h4-5H,6,11H2,1-3H3,(H,12,15).
What are the key properties of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide?
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide has a molecular weight of 208.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 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-methylacetamide is sourced from PubChem (CID 81132412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).