N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide

C18H12N4O — CID 113200693

IUPACN-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C18H12N4O/c19-12-13-5-4-8-15(11-13)20-18(23)17-10-9-16(21-22-17)14-6-2-1-3-7-14/h1-11H,(H,20,23)
InChIKeyLNQQHGZVWAAPEO-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.27
Rot. Bonds3

About N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide

N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide (PubChem CID 113200693) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide
PubChem CID113200693
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC NameN-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C18H12N4O/c19-12-13-5-4-8-15(11-13)20-18(23)17-10-9-16(21-22-17)14-6-2-1-3-7-14/h1-11H,(H,20,23)
InChIKeyLNQQHGZVWAAPEO-UHFFFAOYSA-N
XLogP3.27
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200694
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
N-(3-cyanophenyl)-6-cyclopropylpyridazine-3-carboxamide
CID 113200314
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124566
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128178
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide (CID 113200693) is N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide is N#Cc1cccc(NC(=O)c2ccc(-c3ccccc3)nn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide?
The InChIKey is LNQQHGZVWAAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c19-12-13-5-4-8-15(11-13)20-18(23)17-10-9-16(21-22-17)14-6-2-1-3-7-14/h1-11H,(H,20,23).
What are the key properties of N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide?
N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 113200693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).