1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C24H22ClN5O3 — CID 55757697

IUPAC1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)=NN1Cc1ccccc1
InChIInChI=1S/C24H22ClN5O3/c25-18-8-6-17(7-9-18)23-27-26-21(33-23)15-29(19-10-11-19)24(32)20-12-13-22(31)30(28-20)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeyNPKJNXDWKMUQLO-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.06
Rot. Bonds7

About 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55757697) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55757697
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)=NN1Cc1ccccc1
InChIInChI=1S/C24H22ClN5O3/c25-18-8-6-17(7-9-18)23-27-26-21(33-23)15-29(19-10-11-19)24(32)20-12-13-22(31)30(28-20)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeyNPKJNXDWKMUQLO-UHFFFAOYSA-N
XLogP4.06
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
CID 17442700
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenylsulfanylacetamide
CID 51147007
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-4-carboxamide
CID 17400992
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 75372969
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 8699681
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2,4-difluorobenzamide
CID 8699727
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8834974
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55333116
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55395534
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(tetrazol-1-yl)benzamide
CID 55333069
methyl 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-[(4-chlorophenyl)methyl]amino]acetate
CID 55802571
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
CID 55758061

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55757697) is 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)=NN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NPKJNXDWKMUQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c25-18-8-6-17(7-9-18)23-27-26-21(33-23)15-29(19-10-11-19)24(32)20-12-13-22(31)30(28-20)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2.
What are the key properties of 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55757697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).