2-(aminomethyl)-5-propoxy-1H-pyridin-4-one

C9H14N2O2 — CID 42625826

IUPAC2-(aminomethyl)-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(CN)cc1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-13-9-6-11-7(5-10)4-8(9)12/h4,6H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyGLGMVOGRCKXWRQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.62
Rot. Bonds4

About 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one

2-(aminomethyl)-5-propoxy-1H-pyridin-4-one (PubChem CID 42625826) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-propoxy-1H-pyridin-4-one
PubChem CID42625826
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(aminomethyl)-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(CN)cc1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-13-9-6-11-7(5-10)4-8(9)12/h4,6H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyGLGMVOGRCKXWRQ-UHFFFAOYSA-N
XLogP0.62
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxy-2-methyl-1,4-dihydropyridin-4-one
CID 6324715
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 2726304
5-methoxy-2-(4-morpholinylmethyl)-4(1H)-pyridinone
CID 29888538
2,2,2-trifluoro-N-[[5-(2-methylpropoxy)-4-oxo-1H-pyridin-2-yl]methyl]acetamide
CID 84305470
2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118803172
2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one
CID 15077297
2-Azidomethyl-5-methoxy-pyridin-4-ol
CID 42625824
2-Azidomethyl-5-propoxy-pyridin-4-ol
CID 42625825
2-(Chloromethyl)-5-propoxypyridin-4-ol
CID 42625909
2-Aminomethyl-5-methoxy-pyridin-4-ol
CID 42625910
3-(3-methoxypropoxy)-2-methyl-1H-pyridin-4-one
CID 53803421
5-methoxy-2-[(E)-3-oxobut-1-enyl]-1H-pyridin-4-one
CID 54553862

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one (CID 42625826) is 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one is CCCOc1c[nH]c(CN)cc1=O.
What is the InChIKey of 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one?
The InChIKey is GLGMVOGRCKXWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-13-9-6-11-7(5-10)4-8(9)12/h4,6H,2-3,5,10H2,1H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one?
2-(aminomethyl)-5-propoxy-1H-pyridin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-propoxy-1H-pyridin-4-one is sourced from PubChem (CID 42625826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).