N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C18H17N3O2 — CID 5214214

IUPACN-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC(c2ccccc2)c2ccccc2)=NN1
InChIInChI=1S/C18H17N3O2/c22-16-12-11-15(20-21-16)18(23)19-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,19,23)(H,21,22)
InChIKeyFCSNHIYNIGRXOS-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.16
Rot. Bonds4

About N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 5214214) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID5214214
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC(c2ccccc2)c2ccccc2)=NN1
InChIInChI=1S/C18H17N3O2/c22-16-12-11-15(20-21-16)18(23)19-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,19,23)(H,21,22)
InChIKeyFCSNHIYNIGRXOS-UHFFFAOYSA-N
XLogP2.16
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2-phenylacetamide
CID 5900961
N-benzyl-2-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)acetamide
CID 16189572
2-benzyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472186
2-benzyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475374
2-[N'-(4-tert-Butyl-cyclohexylidene)-hydrazino]-2-oxo-N-(1-phenyl-ethyl)-acetamide
CID 2875428
N-(diphenylmethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 4916030
N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazono]butyramide
CID 6073462

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 5214214) is N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NC(c2ccccc2)c2ccccc2)=NN1.
What is the InChIKey of N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is FCSNHIYNIGRXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-16-12-11-15(20-21-16)18(23)19-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,19,23)(H,21,22).
What are the key properties of N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 5214214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).