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

C21H20N4O — CID 164589480

IUPACN-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESO=C(NCC1CC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C21H20N4O/c26-21(22-14-15-9-10-15)17-7-4-8-18(13-17)23-20-12-11-19(24-25-20)16-5-2-1-3-6-16/h1-8,11-13,15H,9-10,14H2,(H,22,26)(H,23,25)
InChIKeyZZAPYNMAEXJQTA-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.03
Rot. Bonds6

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

N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide (PubChem CID 164589480) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
PubChem CID164589480
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESO=C(NCC1CC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C21H20N4O/c26-21(22-14-15-9-10-15)17-7-4-8-18(13-17)23-20-12-11-19(24-25-20)16-5-2-1-3-6-16/h1-8,11-13,15H,9-10,14H2,(H,22,26)(H,23,25)
InChIKeyZZAPYNMAEXJQTA-UHFFFAOYSA-N
XLogP4.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50778603
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
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
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46322434
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466
N-[2-(cyclohexen-1-yl)ethyl]-3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322394

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide (CID 164589480) is N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide is O=C(NCC1CC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
The InChIKey is ZZAPYNMAEXJQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(22-14-15-9-10-15)17-7-4-8-18(13-17)23-20-12-11-19(24-25-20)16-5-2-1-3-6-16/h1-8,11-13,15H,9-10,14H2,(H,22,26)(H,23,25).
What are the key properties of N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide?
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide has a molecular weight of 344.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide is sourced from PubChem (CID 164589480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).