3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one

C9H14N2O2 — CID 84658527

IUPAC3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCCN
InChIInChI=1S/C9H14N2O2/c1-7-9(13-6-2-4-10)8(12)3-5-11-7/h3,5H,2,4,6,10H2,1H3,(H,11,12)
InChIKeyGJHSXTPHLWAOIR-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.41
Rot. Bonds4

About 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one

3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one (PubChem CID 84658527) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one
PubChem CID84658527
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCCN
InChIInChI=1S/C9H14N2O2/c1-7-9(13-6-2-4-10)8(12)3-5-11-7/h3,5H,2,4,6,10H2,1H3,(H,11,12)
InChIKeyGJHSXTPHLWAOIR-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-2-methyl-1H-pyridin-4-one
CID 323424
5-Methoxy-2-methyl-1,4-dihydropyridin-4-one
CID 6324715
(2-methyl-4-oxo-1H-pyridin-3-yl) N-methylcarbamate
CID 324000
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 2726304
4(1H)-Pyridinone, 3-(acetyloxy)-2-methyl-
CID 72997
3-Ethoxy-4-hydroxy-2-trifluoromethylcarbonylpyridine
CID 129801817
Acetic acid,[(4-hydroxy-2-methyl-3-pyridinyl)oxy]-,methyl ester(9ci)
CID 2726371
5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 130104567
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide
CID 2726357
methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate;hydrochloride
CID 2726370
methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride
CID 45108595
2-Azidomethyl-5-propoxy-pyridin-4-ol
CID 42625825

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one (CID 84658527) is 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCCCN.
What is the InChIKey of 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one?
The InChIKey is GJHSXTPHLWAOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-9(13-6-2-4-10)8(12)3-5-11-7/h3,5H,2,4,6,10H2,1H3,(H,11,12).
What are the key properties of 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one?
3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 84658527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).