N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide

C21H22N4O — CID 113200658

IUPACN-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-3-25(4-2)18-12-10-17(11-13-18)22-21(26)20-15-14-19(23-24-20)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H,22,26)
InChIKeyDYJLIHXTGMNTEH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.24
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide

N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide (PubChem CID 113200658) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
PubChem CID113200658
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-3-25(4-2)18-12-10-17(11-13-18)22-21(26)20-15-14-19(23-24-20)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H,22,26)
InChIKeyDYJLIHXTGMNTEH-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200612
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
N-(4-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200694
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109109943
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
6-(diethylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109124305
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114572
N-(2-fluorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200620

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide (CID 113200658) is N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide?
The InChIKey is DYJLIHXTGMNTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-25(4-2)18-12-10-17(11-13-18)22-21(26)20-15-14-19(23-24-20)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide?
N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 113200658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).