1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one

C9H12N2O2 — CID 174731306

IUPAC1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1cc(N)cnc1OC
InChIInChI=1S/C9H12N2O2/c1-3-8(12)7-4-6(10)5-11-9(7)13-2/h4-5H,3,10H2,1-2H3
InChIKeyPBADCFLHQGTIOK-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.27
Rot. Bonds3

About 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one

1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one (PubChem CID 174731306) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one
PubChem CID174731306
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1cc(N)cnc1OC
InChIInChI=1S/C9H12N2O2/c1-3-8(12)7-4-6(10)5-11-9(7)13-2/h4-5H,3,10H2,1-2H3
InChIKeyPBADCFLHQGTIOK-UHFFFAOYSA-N
XLogP1.27
TPSA65.21 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one (CID 174731306) is 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one is CCC(=O)c1cc(N)cnc1OC.
What is the InChIKey of 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one?
The InChIKey is PBADCFLHQGTIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-8(12)7-4-6(10)5-11-9(7)13-2/h4-5H,3,10H2,1-2H3.
What are the key properties of 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one?
1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one has a molecular weight of 180.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 174731306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).