6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide

C22H20N6O — CID 133375389

IUPAC6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
SMILESCc1ccn(-c2ccccc2CNc2ccc(C(=O)Nc3ccccc3)nn2)n1
InChIInChI=1S/C22H20N6O/c1-16-13-14-28(27-16)20-10-6-5-7-17(20)15-23-21-12-11-19(25-26-21)22(29)24-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,23,26)(H,24,29)
InChIKeyZNTOASKKEIJPKV-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.84
Rot. Bonds6

About 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide

6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133375389) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
PubChem CID133375389
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
SMILESCc1ccn(-c2ccccc2CNc2ccc(C(=O)Nc3ccccc3)nn2)n1
InChIInChI=1S/C22H20N6O/c1-16-13-14-28(27-16)20-10-6-5-7-17(20)15-23-21-12-11-19(25-26-21)22(29)24-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,23,26)(H,24,29)
InChIKeyZNTOASKKEIJPKV-UHFFFAOYSA-N
XLogP3.84
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 133313497
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118070
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313257
6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133313960
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide (CID 133375389) is 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide is Cc1ccn(-c2ccccc2CNc2ccc(C(=O)Nc3ccccc3)nn2)n1.
What is the InChIKey of 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is ZNTOASKKEIJPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-16-13-14-28(27-16)20-10-6-5-7-17(20)15-23-21-12-11-19(25-26-21)22(29)24-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,23,26)(H,24,29).
What are the key properties of 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide?
6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133375389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).