1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone

C8H12N2O — CID 118141006

IUPAC1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1C=CC(C)=C(N)C1
InChIInChI=1S/C8H12N2O/c1-6-3-4-10(7(2)11)5-8(6)9/h3-4H,5,9H2,1-2H3
InChIKeyMMBVOCNPBVSMJV-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.59
Rot. Bonds

About 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone

1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone (PubChem CID 118141006) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone
PubChem CID118141006
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1C=CC(C)=C(N)C1
InChIInChI=1S/C8H12N2O/c1-6-3-4-10(7(2)11)5-8(6)9/h3-4H,5,9H2,1-2H3
InChIKeyMMBVOCNPBVSMJV-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone (CID 118141006) is 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone is CC(=O)N1C=CC(C)=C(N)C1.
What is the InChIKey of 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone?
The InChIKey is MMBVOCNPBVSMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-3-4-10(7(2)11)5-8(6)9/h3-4H,5,9H2,1-2H3.
What are the key properties of 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone?
1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone has a molecular weight of 152.20 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methyl-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 118141006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).