1-[4-(butan-2-ylamino)butyl]pyridin-2-one

C13H22N2O — CID 115714513

IUPAC1-[4-(butan-2-ylamino)butyl]pyridin-2-one
SMILESCCC(C)NCCCCn1ccccc1=O
InChIInChI=1S/C13H22N2O/c1-3-12(2)14-9-5-7-11-15-10-6-4-8-13(15)16/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3
InChIKeyPFCNRYDXBXPADI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.02
Rot. Bonds7

About 1-[4-(butan-2-ylamino)butyl]pyridin-2-one

1-[4-(butan-2-ylamino)butyl]pyridin-2-one (PubChem CID 115714513) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[4-(butan-2-ylamino)butyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(butan-2-ylamino)butyl]pyridin-2-one
PubChem CID115714513
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[4-(butan-2-ylamino)butyl]pyridin-2-one
SMILESCCC(C)NCCCCn1ccccc1=O
InChIInChI=1S/C13H22N2O/c1-3-12(2)14-9-5-7-11-15-10-6-4-8-13(15)16/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3
InChIKeyPFCNRYDXBXPADI-UHFFFAOYSA-N
XLogP2.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one
CID 131902087
1-butan-2-yl-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 110943652
1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
CID 82907582
3-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 115676590
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596
1-heptan-2-yl-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111195161
1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
CID 71851504
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126471
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898404
1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one
CID 81334295
1-(3-methylbutyl)-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083503

Frequently Asked Questions

What is the IUPAC name of 1-[4-(butan-2-ylamino)butyl]pyridin-2-one?
The IUPAC name of 1-[4-(butan-2-ylamino)butyl]pyridin-2-one (CID 115714513) is 1-[4-(butan-2-ylamino)butyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(butan-2-ylamino)butyl]pyridin-2-one?
The canonical SMILES for 1-[4-(butan-2-ylamino)butyl]pyridin-2-one is CCC(C)NCCCCn1ccccc1=O.
What is the InChIKey of 1-[4-(butan-2-ylamino)butyl]pyridin-2-one?
The InChIKey is PFCNRYDXBXPADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-12(2)14-9-5-7-11-15-10-6-4-8-13(15)16/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3.
What are the key properties of 1-[4-(butan-2-ylamino)butyl]pyridin-2-one?
1-[4-(butan-2-ylamino)butyl]pyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butan-2-ylamino)butyl]pyridin-2-one is sourced from PubChem (CID 115714513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).