N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide

C18H15N3O2 — CID 112790938

IUPACN-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H15N3O2/c22-17-11-10-16(20-21-17)18(23)19-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,23)(H,21,22)
InChIKeyIDGHQXJDYAKLOV-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.61
Rot. Bonds4

About N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 112790938) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID112790938
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H15N3O2/c22-17-11-10-16(20-21-17)18(23)19-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,23)(H,21,22)
InChIKeyIDGHQXJDYAKLOV-UHFFFAOYSA-N
XLogP2.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-(2-benzylphenyl)pyrazine-2-carboxamide
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N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-(2-benzylphenyl)isoquinoline-1-carboxamide
CID 60600275
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
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CID 6941331

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 112790938) is N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is IDGHQXJDYAKLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-11-10-16(20-21-17)18(23)19-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,23)(H,21,22).
What are the key properties of N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 112790938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).