1-methyl-3-(methylamino)pyridin-2-one;hydrochloride

C7H11ClN2O — CID 154848949

IUPAC1-methyl-3-(methylamino)pyridin-2-one;hydrochloride
SMILESCNc1cccn(C)c1=O.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-8-6-4-3-5-9(2)7(6)10;/h3-5,8H,1-2H3;1H
InChIKeyOBJWNRCUQVUYBZ-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.85
Rot. Bonds1

About 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride

1-methyl-3-(methylamino)pyridin-2-one;hydrochloride (PubChem CID 154848949) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-(methylamino)pyridin-2-one;hydrochloride
PubChem CID154848949
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name1-methyl-3-(methylamino)pyridin-2-one;hydrochloride
SMILESCNc1cccn(C)c1=O.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-8-6-4-3-5-9(2)7(6)10;/h3-5,8H,1-2H3;1H
InChIKeyOBJWNRCUQVUYBZ-UHFFFAOYSA-N
XLogP0.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride?
The IUPAC name of 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride (CID 154848949) is 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride?
The canonical SMILES for 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride is CNc1cccn(C)c1=O.Cl.
What is the InChIKey of 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride?
The InChIKey is OBJWNRCUQVUYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-8-6-4-3-5-9(2)7(6)10;/h3-5,8H,1-2H3;1H.
What are the key properties of 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride?
1-methyl-3-(methylamino)pyridin-2-one;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)pyridin-2-one;hydrochloride is sourced from PubChem (CID 154848949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).