4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide

C22H23N5O — CID 113049713

IUPAC4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(N4CCCC4)cc3)nn2)cc1
InChIInChI=1S/C22H23N5O/c1-16-4-6-17(7-5-16)22(28)24-21-13-12-20(25-26-21)23-18-8-10-19(11-9-18)27-14-2-3-15-27/h4-13H,2-3,14-15H2,1H3,(H,23,25)(H,24,26,28)
InChIKeyDJJVSBYEBARNCI-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.38
Rot. Bonds5

About 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide

4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide (PubChem CID 113049713) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
PubChem CID113049713
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(N4CCCC4)cc3)nn2)cc1
InChIInChI=1S/C22H23N5O/c1-16-4-6-17(7-5-16)22(28)24-21-13-12-20(25-26-21)23-18-8-10-19(11-9-18)27-14-2-3-15-27/h4-13H,2-3,14-15H2,1H3,(H,23,25)(H,24,26,28)
InChIKeyDJJVSBYEBARNCI-UHFFFAOYSA-N
XLogP4.38
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
CID 113049793
3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021007
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 21205662
N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113049774
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
4-[[2-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193334
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide (CID 113049713) is 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide is Cc1ccc(C(=O)Nc2ccc(Nc3ccc(N4CCCC4)cc3)nn2)cc1.
What is the InChIKey of 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide?
The InChIKey is DJJVSBYEBARNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-4-6-17(7-5-16)22(28)24-21-13-12-20(25-26-21)23-18-8-10-19(11-9-18)27-14-2-3-15-27/h4-13H,2-3,14-15H2,1H3,(H,23,25)(H,24,26,28).
What are the key properties of 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide?
4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113049713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).