N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide

C21H17N5O — CID 164589837

IUPACN-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESN#CC1(NC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)CC1
InChIInChI=1S/C21H17N5O/c22-14-21(11-12-21)24-20(27)16-7-4-8-17(13-16)23-19-10-9-18(25-26-19)15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,23,26)(H,24,27)
InChIKeyWZDAZNAZHJCGHM-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.67
Rot. Bonds5

About N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide

N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide (PubChem CID 164589837) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
PubChem CID164589837
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESN#CC1(NC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)CC1
InChIInChI=1S/C21H17N5O/c22-14-21(11-12-21)24-20(27)16-7-4-8-17(13-16)23-19-10-9-18(25-26-19)15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,23,26)(H,24,27)
InChIKeyWZDAZNAZHJCGHM-UHFFFAOYSA-N
XLogP3.67
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50778603
N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 165128971
3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
CID 167404187
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50778604
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
N-(1-cyanocyclobutyl)-3-iodobenzamide
CID 61400585
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322363
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778639

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The IUPAC name of N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide (CID 164589837) is N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide is N#CC1(NC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The InChIKey is WZDAZNAZHJCGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c22-14-21(11-12-21)24-20(27)16-7-4-8-17(13-16)23-19-10-9-18(25-26-19)15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,23,26)(H,24,27).
What are the key properties of N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide has a molecular weight of 355.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide is sourced from PubChem (CID 164589837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).