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

C24H26N4O — CID 165128971

IUPACN-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESO=C(NCC1CCCCC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C24H26N4O/c29-24(25-17-18-8-3-1-4-9-18)20-12-7-13-21(16-20)26-23-15-14-22(27-28-23)19-10-5-2-6-11-19/h2,5-7,10-16,18H,1,3-4,8-9,17H2,(H,25,29)(H,26,28)
InChIKeyPESUMASNYLZPPO-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.20
Rot. Bonds6

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

N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide (PubChem CID 165128971) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
PubChem CID165128971
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESO=C(NCC1CCCCC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C24H26N4O/c29-24(25-17-18-8-3-1-4-9-18)20-12-7-13-21(16-20)26-23-15-14-22(27-28-23)19-10-5-2-6-11-19/h2,5-7,10-16,18H,1,3-4,8-9,17H2,(H,25,29)(H,26,28)
InChIKeyPESUMASNYLZPPO-UHFFFAOYSA-N
XLogP5.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
CID 167404187
[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50778603
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50778604
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589837
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
N-[2-(cyclohexen-1-yl)ethyl]-3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322394
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322363
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide (CID 165128971) is N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide is O=C(NCC1CCCCC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The InChIKey is PESUMASNYLZPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(25-17-18-8-3-1-4-9-18)20-12-7-13-21(16-20)26-23-15-14-22(27-28-23)19-10-5-2-6-11-19/h2,5-7,10-16,18H,1,3-4,8-9,17H2,(H,25,29)(H,26,28).
What are the key properties of N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide is sourced from PubChem (CID 165128971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).