1-[4-(dimethylamino)-2-pyridinyl]ethanone

C9H12N2O — CID 58420853

IUPAC1-[4-(dimethylamino)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C9H12N2O/c1-7(12)9-6-8(11(2)3)4-5-10-9/h4-6H,1-3H3
InChIKeyPKSOQLDZMMXAHG-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.35
Rot. Bonds2

About 1-[4-(dimethylamino)-2-pyridinyl]ethanone

1-[4-(dimethylamino)-2-pyridinyl]ethanone (PubChem CID 58420853) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-pyridinyl]ethanone
PubChem CID58420853
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-[4-(dimethylamino)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C9H12N2O/c1-7(12)9-6-8(11(2)3)4-5-10-9/h4-6H,1-3H3
InChIKeyPKSOQLDZMMXAHG-UHFFFAOYSA-N
XLogP1.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-pyridinyl]ethanone (CID 58420853) is 1-[4-(dimethylamino)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-pyridinyl]ethanone is CC(=O)c1cc(N(C)C)ccn1.
What is the InChIKey of 1-[4-(dimethylamino)-2-pyridinyl]ethanone?
The InChIKey is PKSOQLDZMMXAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(12)9-6-8(11(2)3)4-5-10-9/h4-6H,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-2-pyridinyl]ethanone?
1-[4-(dimethylamino)-2-pyridinyl]ethanone has a molecular weight of 164.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-pyridinyl]ethanone is sourced from PubChem (CID 58420853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).