N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

C29H31N5O — CID 46320713

IUPACN-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1
InChIInChI=1S/C29H31N5O/c1-4-34(5-2)26-15-9-22(10-16-26)20-30-29(35)23-11-13-25(14-12-23)31-28-18-17-27(32-33-28)24-8-6-7-21(3)19-24/h6-19H,4-5,20H2,1-3H3,(H,30,35)(H,31,33)
InChIKeyUSESJQJLSKYBNR-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.97
Rot. Bonds9

About N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46320713) has the molecular formula C29H31N5O and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46320713
Molecular FormulaC29H31N5O
Molecular Weight465.60 g/mol
Exact Mass465.25
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1
InChIInChI=1S/C29H31N5O/c1-4-34(5-2)26-15-9-22(10-16-26)20-30-29(35)23-11-13-25(14-12-23)31-28-18-17-27(32-33-28)24-8-6-7-21(3)19-24/h6-19H,4-5,20H2,1-3H3,(H,30,35)(H,31,33)
InChIKeyUSESJQJLSKYBNR-UHFFFAOYSA-N
XLogP5.97
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320750
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731
6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156084
N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46322434
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121189
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466
N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46320760

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 46320713) is N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is CCN(CC)c1ccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is USESJQJLSKYBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O/c1-4-34(5-2)26-15-9-22(10-16-26)20-30-29(35)23-11-13-25(14-12-23)31-28-18-17-27(32-33-28)24-8-6-7-21(3)19-24/h6-19H,4-5,20H2,1-3H3,(H,30,35)(H,31,33).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 465.60 g/mol, XLogP of 5.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46320713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).