2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide

C17H21N3O2 — CID 45268241

IUPAC2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc(NCc2ccccc2)c1=O
InChIInChI=1S/C17H21N3O2/c1-2-10-18-16(21)13-20-11-6-9-15(17(20)22)19-12-14-7-4-3-5-8-14/h3-9,11,19H,2,10,12-13H2,1H3,(H,18,21)
InChIKeyHBIGRJJGYGPUFA-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.99
Rot. Bonds7

About 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide

2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide (PubChem CID 45268241) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide
PubChem CID45268241
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc(NCc2ccccc2)c1=O
InChIInChI=1S/C17H21N3O2/c1-2-10-18-16(21)13-20-11-6-9-15(17(20)22)19-12-14-7-4-3-5-8-14/h3-9,11,19H,2,10,12-13H2,1H3,(H,18,21)
InChIKeyHBIGRJJGYGPUFA-UHFFFAOYSA-N
XLogP1.99
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide?
The IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide (CID 45268241) is 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide?
The canonical SMILES for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide is CCCNC(=O)Cn1cccc(NCc2ccccc2)c1=O.
What is the InChIKey of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide?
The InChIKey is HBIGRJJGYGPUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-10-18-16(21)13-20-11-6-9-15(17(20)22)19-12-14-7-4-3-5-8-14/h3-9,11,19H,2,10,12-13H2,1H3,(H,18,21).
What are the key properties of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide?
2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide has a molecular weight of 299.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 45268241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).