N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

C19H19N3O3 — CID 16884425

IUPACN-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)NCc1ccco1
InChIInChI=1S/C19H19N3O3/c23-18(20-14-16-8-5-13-25-16)9-4-12-22-19(24)11-10-17(21-22)15-6-2-1-3-7-15/h1-3,5-8,10-11,13H,4,9,12,14H2,(H,20,23)
InChIKeyLTGYWVVGQDUYIA-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.60
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (PubChem CID 16884425) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
PubChem CID16884425
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)NCc1ccco1
InChIInChI=1S/C19H19N3O3/c23-18(20-14-16-8-5-13-25-16)9-4-12-22-19(24)11-10-17(21-22)15-6-2-1-3-7-15/h1-3,5-8,10-11,13H,4,9,12,14H2,(H,20,23)
InChIKeyLTGYWVVGQDUYIA-UHFFFAOYSA-N
XLogP2.60
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (CID 16884425) is N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is O=C(CCCn1nc(-c2ccccc2)ccc1=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The InChIKey is LTGYWVVGQDUYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(20-14-16-8-5-13-25-16)9-4-12-22-19(24)11-10-17(21-22)15-6-2-1-3-7-15/h1-3,5-8,10-11,13H,4,9,12,14H2,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide has a molecular weight of 337.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 16884425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).