4-(4-amino-3-pyridinyl)butan-2-one

C9H12N2O — CID 64522504

IUPAC4-(4-amino-3-pyridinyl)butan-2-one
SMILESCC(=O)CCc1cnccc1N
InChIInChI=1S/C9H12N2O/c1-7(12)2-3-8-6-11-5-4-9(8)10/h4-6H,2-3H2,1H3,(H2,10,11)
InChIKeyFDVKPRPMIHRVGG-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.19
Rot. Bonds3

About 4-(4-amino-3-pyridinyl)butan-2-one

4-(4-amino-3-pyridinyl)butan-2-one (PubChem CID 64522504) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(4-amino-3-pyridinyl)butan-2-one.

Molecular Properties

Compound Name4-(4-amino-3-pyridinyl)butan-2-one
PubChem CID64522504
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-(4-amino-3-pyridinyl)butan-2-one
SMILESCC(=O)CCc1cnccc1N
InChIInChI=1S/C9H12N2O/c1-7(12)2-3-8-6-11-5-4-9(8)10/h4-6H,2-3H2,1H3,(H2,10,11)
InChIKeyFDVKPRPMIHRVGG-UHFFFAOYSA-N
XLogP1.19
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-pyridinyl)butan-2-one?
The IUPAC name of 4-(4-amino-3-pyridinyl)butan-2-one (CID 64522504) is 4-(4-amino-3-pyridinyl)butan-2-one.
What is the SMILES notation for 4-(4-amino-3-pyridinyl)butan-2-one?
The canonical SMILES for 4-(4-amino-3-pyridinyl)butan-2-one is CC(=O)CCc1cnccc1N.
What is the InChIKey of 4-(4-amino-3-pyridinyl)butan-2-one?
The InChIKey is FDVKPRPMIHRVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(12)2-3-8-6-11-5-4-9(8)10/h4-6H,2-3H2,1H3,(H2,10,11).
What are the key properties of 4-(4-amino-3-pyridinyl)butan-2-one?
4-(4-amino-3-pyridinyl)butan-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-pyridinyl)butan-2-one is sourced from PubChem (CID 64522504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).