6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide

C18H15N3O2 — CID 110793755

IUPAC6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H15N3O2/c22-17-11-10-16(20-21-17)18(23)19-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,23)(H,21,22)
InChIKeyOYZBYJCAVUDANU-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.37
Rot. Bonds4

About 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide (PubChem CID 110793755) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
PubChem CID110793755
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H15N3O2/c22-17-11-10-16(20-21-17)18(23)19-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,23)(H,21,22)
InChIKeyOYZBYJCAVUDANU-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793511
6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 51087114
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794546
N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38637755
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110744921
phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
CID 108573584
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30541088
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide (CID 110793755) is 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide is O=C(NCc1ccc(-c2ccccc2)cc1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is OYZBYJCAVUDANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-11-10-16(20-21-17)18(23)19-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,23)(H,21,22).
What are the key properties of 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110793755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).