3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide

C24H21N5O — CID 167404187

IUPAC3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C24H21N5O/c30-24(26-16-13-18-11-14-25-15-12-18)20-7-4-8-21(17-20)27-23-10-9-22(28-29-23)19-5-2-1-3-6-19/h1-12,14-15,17H,13,16H2,(H,26,30)(H,27,29)
InChIKeyKBVZNHJAMKNADA-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.25
Rot. Bonds7

About 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide

3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 167404187) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID167404187
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C24H21N5O/c30-24(26-16-13-18-11-14-25-15-12-18)20-7-4-8-21(17-20)27-23-10-9-22(28-29-23)19-5-2-1-3-6-19/h1-12,14-15,17H,13,16H2,(H,26,30)(H,27,29)
InChIKeyKBVZNHJAMKNADA-UHFFFAOYSA-N
XLogP4.25
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50778604
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide
CID 164589633
N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 165128971
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
N-[2-(cyclohexen-1-yl)ethyl]-3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322394
N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589837
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
CID 117092507
[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50778603
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

Frequently Asked Questions

What is the IUPAC name of 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide (CID 167404187) is 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide is O=C(NCCc1ccncc1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1.
What is the InChIKey of 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is KBVZNHJAMKNADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24(26-16-13-18-11-14-25-15-12-18)20-7-4-8-21(17-20)27-23-10-9-22(28-29-23)19-5-2-1-3-6-19/h1-12,14-15,17H,13,16H2,(H,26,30)(H,27,29).
What are the key properties of 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide?
3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 395.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 167404187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).