4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one

C10H15ClN2O — CID 130609807

IUPAC4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one
SMILESCC(CCCl)Nc1ccn(C)c(=O)c1
InChIInChI=1S/C10H15ClN2O/c1-8(3-5-11)12-9-4-6-13(2)10(14)7-9/h4,6-8,12H,3,5H2,1-2H3
InChIKeyFBUPBWHZLOEUHX-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.81
Rot. Bonds4

About 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one

4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one (PubChem CID 130609807) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one
PubChem CID130609807
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one
SMILESCC(CCCl)Nc1ccn(C)c(=O)c1
InChIInChI=1S/C10H15ClN2O/c1-8(3-5-11)12-9-4-6-13(2)10(14)7-9/h4,6-8,12H,3,5H2,1-2H3
InChIKeyFBUPBWHZLOEUHX-UHFFFAOYSA-N
XLogP1.81
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one?
The IUPAC name of 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one (CID 130609807) is 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one?
The canonical SMILES for 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one is CC(CCCl)Nc1ccn(C)c(=O)c1.
What is the InChIKey of 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one?
The InChIKey is FBUPBWHZLOEUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-8(3-5-11)12-9-4-6-13(2)10(14)7-9/h4,6-8,12H,3,5H2,1-2H3.
What are the key properties of 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one?
4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one has a molecular weight of 214.70 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutan-2-ylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 130609807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).