N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide

C20H21N3O3 — CID 34907261

IUPACN-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(Cc2ccccc2)Cc2ccco2)ccc1=O
InChIInChI=1S/C20H21N3O3/c1-2-12-23-19(24)11-10-18(21-23)20(25)22(15-17-9-6-13-26-17)14-16-7-4-3-5-8-16/h3-11,13H,2,12,14-15H2,1H3
InChIKeyBGKQOQUMELQCGF-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.09
Rot. Bonds7

About N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 34907261) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID34907261
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(Cc2ccccc2)Cc2ccco2)ccc1=O
InChIInChI=1S/C20H21N3O3/c1-2-12-23-19(24)11-10-18(21-23)20(25)22(15-17-9-6-13-26-17)14-16-7-4-3-5-8-16/h3-11,13H,2,12,14-15H2,1H3
InChIKeyBGKQOQUMELQCGF-UHFFFAOYSA-N
XLogP3.09
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(furan-2-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46599486
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514
N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
CID 42162108
N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 94022288
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 37427411
N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 31836968
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide
CID 52574448
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 43655583
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 34907261) is N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(Cc2ccccc2)Cc2ccco2)ccc1=O.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is BGKQOQUMELQCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-12-23-19(24)11-10-18(21-23)20(25)22(15-17-9-6-13-26-17)14-16-7-4-3-5-8-16/h3-11,13H,2,12,14-15H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 34907261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).