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

C18H16N4O — CID 109126645

IUPAC6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c1
InChIInChI=1S/C18H16N4O/c1-13-6-5-9-15(12-13)19-17-11-10-16(21-22-17)18(23)20-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,22)(H,20,23)
InChIKeyMVRZROALXUCGLY-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds4

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

6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide (PubChem CID 109126645) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
PubChem CID109126645
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c1
InChIInChI=1S/C18H16N4O/c1-13-6-5-9-15(12-13)19-17-11-10-16(21-22-17)18(23)20-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,22)(H,20,23)
InChIKeyMVRZROALXUCGLY-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 133435107
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide (CID 109126645) is 6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide is Cc1cccc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c1.
What is the InChIKey of 6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is MVRZROALXUCGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-6-5-9-15(12-13)19-17-11-10-16(21-22-17)18(23)20-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide?
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109126645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).