N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide

C18H15N3O2 — CID 4916030

IUPACN-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H15N3O2/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/h1-12,17H,(H,19,23)(H,21,22)
InChIKeyZNCCTMLFHLCTBC-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.29
Rot. Bonds4

About N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide

N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 4916030) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID4916030
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H15N3O2/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/h1-12,17H,(H,19,23)(H,21,22)
InChIKeyZNCCTMLFHLCTBC-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide (CID 4916030) is N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ZNCCTMLFHLCTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/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/h1-12,17H,(H,19,23)(H,21,22).
What are the key properties of N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide?
N-benzhydryl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.29, 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-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 4916030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).