N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide

C24H29N5O — CID 50778604

IUPACN-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESCCN(CC)CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C24H29N5O/c1-3-29(4-2)17-9-16-25-24(30)20-12-8-13-21(18-20)26-23-15-14-22(27-28-23)19-10-6-5-7-11-19/h5-8,10-15,18H,3-4,9,16-17H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyJDINHPVDFCIDLC-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.35
Rot. Bonds10

About N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide

N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide (PubChem CID 50778604) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
PubChem CID50778604
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESCCN(CC)CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C24H29N5O/c1-3-29(4-2)17-9-16-25-24(30)20-12-8-13-21(18-20)26-23-15-14-22(27-28-23)19-10-6-5-7-11-19/h5-8,10-15,18H,3-4,9,16-17H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyJDINHPVDFCIDLC-UHFFFAOYSA-N
XLogP4.35
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
CID 167404187
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 165128971
N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783608
N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide
CID 67055113
4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173
N-[2-[benzyl(ethyl)amino]ethyl]-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331386
N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589837
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797262
[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50778603

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide (CID 50778604) is N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide is CCN(CC)CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The InChIKey is JDINHPVDFCIDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-3-29(4-2)17-9-16-25-24(30)20-12-8-13-21(18-20)26-23-15-14-22(27-28-23)19-10-6-5-7-11-19/h5-8,10-15,18H,3-4,9,16-17H2,1-2H3,(H,25,30)(H,26,28).
What are the key properties of N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide has a molecular weight of 403.53 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide is sourced from PubChem (CID 50778604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).