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

C13H21N3O2 — CID 45271636

IUPAC2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc(NCCC)c1=O
InChIInChI=1S/C13H21N3O2/c1-3-7-14-11-6-5-9-16(13(11)18)10-12(17)15-8-4-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyQYRBNVFLVMZPDL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds7

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

2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide (PubChem CID 45271636) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
PubChem CID45271636
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc(NCCC)c1=O
InChIInChI=1S/C13H21N3O2/c1-3-7-14-11-6-5-9-16(13(11)18)10-12(17)15-8-4-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyQYRBNVFLVMZPDL-UHFFFAOYSA-N
XLogP1.20
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide?
The IUPAC name of 2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide (CID 45271636) is 2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide.
What is the SMILES notation for 2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide?
The canonical SMILES for 2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide is CCCNC(=O)Cn1cccc(NCCC)c1=O.
What is the InChIKey of 2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide?
The InChIKey is QYRBNVFLVMZPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-14-11-6-5-9-16(13(11)18)10-12(17)15-8-4-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide?
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 45271636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).