1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone

C9H12N2O2 — CID 58772711

IUPAC1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone
SMILESCNc1ccc(OC)nc1C(C)=O
InChIInChI=1S/C9H12N2O2/c1-6(12)9-7(10-2)4-5-8(11-9)13-3/h4-5,10H,1-3H3
InChIKeyPDRJAAWFNQZXBR-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.33
Rot. Bonds3

About 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone

1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone (PubChem CID 58772711) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone
PubChem CID58772711
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone
SMILESCNc1ccc(OC)nc1C(C)=O
InChIInChI=1S/C9H12N2O2/c1-6(12)9-7(10-2)4-5-8(11-9)13-3/h4-5,10H,1-3H3
InChIKeyPDRJAAWFNQZXBR-UHFFFAOYSA-N
XLogP1.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone (CID 58772711) is 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone is CNc1ccc(OC)nc1C(C)=O.
What is the InChIKey of 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone?
The InChIKey is PDRJAAWFNQZXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(12)9-7(10-2)4-5-8(11-9)13-3/h4-5,10H,1-3H3.
What are the key properties of 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone?
1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone has a molecular weight of 180.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-3-(methylamino)-2-pyridinyl]ethanone is sourced from PubChem (CID 58772711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).