N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H17N3O3 — CID 60651355

IUPACN-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H17N3O3/c1-9(4-5-10-3-2-8-19-10)14-13(18)11-6-7-12(17)16-15-11/h2-3,8-9H,4-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyVFQAJFDGOVPIBA-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.98
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60651355) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60651355
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H17N3O3/c1-9(4-5-10-3-2-8-19-10)14-13(18)11-6-7-12(17)16-15-11/h2-3,8-9H,4-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyVFQAJFDGOVPIBA-UHFFFAOYSA-N
XLogP0.98
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]benzamide
CID 39948589
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5029985
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
6-amino-N-[4-(furan-2-yl)butan-2-yl]pyridazine-3-carboxamide
CID 62185826
6-amino-3-chloro-N-[4-(furan-2-yl)butan-2-yl]pyridine-2-carboxamide
CID 62185489

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60651355) is N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(CCc1ccco1)NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is VFQAJFDGOVPIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(4-5-10-3-2-8-19-10)14-13(18)11-6-7-12(17)16-15-11/h2-3,8-9H,4-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60651355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).