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

C8H10N2O — CID 44533427

IUPAC1-(3-amino-4-methyl-2-pyridinyl)ethanone
SMILESCC(=O)c1nccc(C)c1N
InChIInChI=1S/C8H10N2O/c1-5-3-4-10-8(6(2)11)7(5)9/h3-4H,9H2,1-2H3
InChIKeyXAKKKBXYFOCXNN-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.17
Rot. Bonds1

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

1-(3-amino-4-methyl-2-pyridinyl)ethanone (PubChem CID 44533427) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(3-amino-4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methyl-2-pyridinyl)ethanone
PubChem CID44533427
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(3-amino-4-methyl-2-pyridinyl)ethanone
SMILESCC(=O)c1nccc(C)c1N
InChIInChI=1S/C8H10N2O/c1-5-3-4-10-8(6(2)11)7(5)9/h3-4H,9H2,1-2H3
InChIKeyXAKKKBXYFOCXNN-UHFFFAOYSA-N
XLogP1.17
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-amino-4-methyl-2-pyridinyl)ethanone (CID 44533427) is 1-(3-amino-4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-amino-4-methyl-2-pyridinyl)ethanone is CC(=O)c1nccc(C)c1N.
What is the InChIKey of 1-(3-amino-4-methyl-2-pyridinyl)ethanone?
The InChIKey is XAKKKBXYFOCXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-3-4-10-8(6(2)11)7(5)9/h3-4H,9H2,1-2H3.
What are the key properties of 1-(3-amino-4-methyl-2-pyridinyl)ethanone?
1-(3-amino-4-methyl-2-pyridinyl)ethanone has a molecular weight of 150.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 44533427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).