1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone

C11H17N3O — CID 116562759

IUPAC1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1c(C)ccnc1N
InChIInChI=1S/C11H17N3O/c1-3-5-13-7-9(15)10-8(2)4-6-14-11(10)12/h4,6,13H,3,5,7H2,1-2H3,(H2,12,14)
InChIKeyZIAVOVQGVNPJLK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.15
Rot. Bonds5

About 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone

1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone (PubChem CID 116562759) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone
PubChem CID116562759
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1c(C)ccnc1N
InChIInChI=1S/C11H17N3O/c1-3-5-13-7-9(15)10-8(2)4-6-14-11(10)12/h4,6,13H,3,5,7H2,1-2H3,(H2,12,14)
InChIKeyZIAVOVQGVNPJLK-UHFFFAOYSA-N
XLogP1.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone?
The IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone (CID 116562759) is 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone is CCCNCC(=O)c1c(C)ccnc1N.
What is the InChIKey of 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone?
The InChIKey is ZIAVOVQGVNPJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-5-13-7-9(15)10-8(2)4-6-14-11(10)12/h4,6,13H,3,5,7H2,1-2H3,(H2,12,14).
What are the key properties of 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone?
1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone is sourced from PubChem (CID 116562759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).