2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide

C16H21N3O3 — CID 16905522

IUPAC2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C16H21N3O3/c1-3-12(4-2)16(21)17-9-10-19-15(20)8-7-13(18-19)14-6-5-11-22-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyMGUUWTLQISITMB-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.06
Rot. Bonds7

About 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide

2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide (PubChem CID 16905522) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide
PubChem CID16905522
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C16H21N3O3/c1-3-12(4-2)16(21)17-9-10-19-15(20)8-7-13(18-19)14-6-5-11-22-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyMGUUWTLQISITMB-UHFFFAOYSA-N
XLogP2.06
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide (CID 16905522) is 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide is CCC(CC)C(=O)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide?
The InChIKey is MGUUWTLQISITMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-12(4-2)16(21)17-9-10-19-15(20)8-7-13(18-19)14-6-5-11-22-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide?
2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide has a molecular weight of 303.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]butanamide is sourced from PubChem (CID 16905522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).