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

C12H20N4O — CID 81132684

IUPAC2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(C)ccc1N
InChIInChI=1S/C12H20N4O/c1-4-7-14-11(17)8-16(3)12-10(13)6-5-9(2)15-12/h5-6H,4,7-8,13H2,1-3H3,(H,14,17)
InChIKeyNROVMLPYZNOUBK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds5

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

2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide (PubChem CID 81132684) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
PubChem CID81132684
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(C)ccc1N
InChIInChI=1S/C12H20N4O/c1-4-7-14-11(17)8-16(3)12-10(13)6-5-9(2)15-12/h5-6H,4,7-8,13H2,1-3H3,(H,14,17)
InChIKeyNROVMLPYZNOUBK-UHFFFAOYSA-N
XLogP0.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 81132412
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 81132413
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 61452449
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808785
2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
CID 114074255
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80986192
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 55139193
2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
CID 103590092

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide (CID 81132684) is 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(C)ccc1N.
What is the InChIKey of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide?
The InChIKey is NROVMLPYZNOUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-7-14-11(17)8-16(3)12-10(13)6-5-9(2)15-12/h5-6H,4,7-8,13H2,1-3H3,(H,14,17).
What are the key properties of 2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide?
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.93, 5 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-propylacetamide is sourced from PubChem (CID 81132684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).