1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one

C9H14N2O2 — CID 82063238

IUPAC1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one
SMILESCOc1c(C)n(CCN)ccc1=O
InChIInChI=1S/C9H14N2O2/c1-7-9(13-2)8(12)3-5-11(7)6-4-10/h3,5H,4,6,10H2,1-2H3
InChIKeyNKQLQSRKVCCDJK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.12
Rot. Bonds3

About 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one

1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one (PubChem CID 82063238) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one
PubChem CID82063238
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one
SMILESCOc1c(C)n(CCN)ccc1=O
InChIInChI=1S/C9H14N2O2/c1-7-9(13-2)8(12)3-5-11(7)6-4-10/h3,5H,4,6,10H2,1-2H3
InChIKeyNKQLQSRKVCCDJK-UHFFFAOYSA-N
XLogP0.12
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one?
The IUPAC name of 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one (CID 82063238) is 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one is COc1c(C)n(CCN)ccc1=O.
What is the InChIKey of 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one?
The InChIKey is NKQLQSRKVCCDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-9(13-2)8(12)3-5-11(7)6-4-10/h3,5H,4,6,10H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one?
1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-methoxy-2-methylpyridin-4-one is sourced from PubChem (CID 82063238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).