1-propyl-5-(prop-2-ynylamino)pyridin-2-one

C11H14N2O — CID 63951085

IUPAC1-propyl-5-(prop-2-ynylamino)pyridin-2-one
SMILESC#CCNc1ccc(=O)n(CCC)c1
InChIInChI=1S/C11H14N2O/c1-3-7-12-10-5-6-11(14)13(9-10)8-4-2/h1,5-6,9,12H,4,7-8H2,2H3
InChIKeyYFTGQLGXLNJWHN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.30
Rot. Bonds4

About 1-propyl-5-(prop-2-ynylamino)pyridin-2-one

1-propyl-5-(prop-2-ynylamino)pyridin-2-one (PubChem CID 63951085) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-propyl-5-(prop-2-ynylamino)pyridin-2-one.

Molecular Properties

Compound Name1-propyl-5-(prop-2-ynylamino)pyridin-2-one
PubChem CID63951085
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-propyl-5-(prop-2-ynylamino)pyridin-2-one
SMILESC#CCNc1ccc(=O)n(CCC)c1
InChIInChI=1S/C11H14N2O/c1-3-7-12-10-5-6-11(14)13(9-10)8-4-2/h1,5-6,9,12H,4,7-8H2,2H3
InChIKeyYFTGQLGXLNJWHN-UHFFFAOYSA-N
XLogP1.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63950885
5-[(2-chlorophenyl)methylamino]-1-propylpyridin-2-one
CID 54863887
1,3-dimethyl-6-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]pyrimidine-2,4-dione
CID 146144159
5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 54863932
2-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]benzonitrile
CID 107935934
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
CID 66386976
5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one
CID 54863781
5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one
CID 54863912
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one
CID 60942932
5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 63324996

Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-(prop-2-ynylamino)pyridin-2-one?
The IUPAC name of 1-propyl-5-(prop-2-ynylamino)pyridin-2-one (CID 63951085) is 1-propyl-5-(prop-2-ynylamino)pyridin-2-one.
What is the SMILES notation for 1-propyl-5-(prop-2-ynylamino)pyridin-2-one?
The canonical SMILES for 1-propyl-5-(prop-2-ynylamino)pyridin-2-one is C#CCNc1ccc(=O)n(CCC)c1.
What is the InChIKey of 1-propyl-5-(prop-2-ynylamino)pyridin-2-one?
The InChIKey is YFTGQLGXLNJWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-7-12-10-5-6-11(14)13(9-10)8-4-2/h1,5-6,9,12H,4,7-8H2,2H3.
What are the key properties of 1-propyl-5-(prop-2-ynylamino)pyridin-2-one?
1-propyl-5-(prop-2-ynylamino)pyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-(prop-2-ynylamino)pyridin-2-one is sourced from PubChem (CID 63951085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).