1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one

C9H14N2O2 — CID 11600788

IUPAC1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCN
InChIInChI=1S/C9H14N2O2/c1-7-9(13)8(12)3-6-11(7)5-2-4-10/h3,6,13H,2,4-5,10H2,1H3
InChIKeyOHQBDOJVNMHDGN-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.21
Rot. Bonds3

About 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one

1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 11600788) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID11600788
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCN
InChIInChI=1S/C9H14N2O2/c1-7-9(13)8(12)3-6-11(7)5-2-4-10/h3,6,13H,2,4-5,10H2,1H3
InChIKeyOHQBDOJVNMHDGN-UHFFFAOYSA-N
XLogP0.21
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one (CID 11600788) is 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is OHQBDOJVNMHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-9(13)8(12)3-6-11(7)5-2-4-10/h3,6,13H,2,4-5,10H2,1H3.
What are the key properties of 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one?
1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 11600788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).