3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one

C12H20N2O2 — CID 82990846

IUPAC3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one
SMILESCC(C)CCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C12H20N2O2/c1-10(2)4-7-16-8-6-14-5-3-12(15)11(13)9-14/h3,5,9-10H,4,6-8,13H2,1-2H3
InChIKeyAXTYAIHIROIICY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.49
Rot. Bonds6

About 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one

3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one (PubChem CID 82990846) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one
PubChem CID82990846
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one
SMILESCC(C)CCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C12H20N2O2/c1-10(2)4-7-16-8-6-14-5-3-12(15)11(13)9-14/h3,5,9-10H,4,6-8,13H2,1-2H3
InChIKeyAXTYAIHIROIICY-UHFFFAOYSA-N
XLogP1.49
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-1-(2-ethoxyethyl)-1,4-dihydropyridin-4-one
CID 82990001
3-Amino-1-[2-(2-methoxyethoxy)ethyl]-1,4-dihydropyridin-4-one
CID 82990005
Ethyl 2-(3-amino-4-oxo-1,4-dihydropyridin-1-yl)acetate
CID 82990578
3-Amino-1-(2-butoxyethyl)-1,4-dihydropyridin-4-one
CID 82991382
Butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
CID 82991592
3-Amino-1-(3-ethoxypropyl)-1,4-dihydropyridin-4-one
CID 82992540
3-Amino-1-[2-(propan-2-yloxy)ethyl]-1,4-dihydropyridin-4-one
CID 82992776
3-Amino-1-(2-methoxyethyl)-1,4-dihydropyridin-4-one
CID 82993717
3-Amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one
CID 103179662
3-Amino-5-bromo-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one
CID 103962006
3-Amino-1-(2-methoxypropyl)-1,4-dihydropyridin-4-one
CID 104167359
3-Amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one
CID 104562963

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one (CID 82990846) is 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one is CC(C)CCOCCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one?
The InChIKey is AXTYAIHIROIICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(2)4-7-16-8-6-14-5-3-12(15)11(13)9-14/h3,5,9-10H,4,6-8,13H2,1-2H3.
What are the key properties of 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one?
3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one has a molecular weight of 224.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-methylbutoxy)ethyl]pyridin-4-one is sourced from PubChem (CID 82990846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).