N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide

C28H26N4O3 — CID 46146590

IUPACN-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide
SMILESCc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C28H26N4O3/c1-18-13-19(2)15-24(14-18)35-25-17-29-32(23-9-4-3-5-10-23)28(34)26(25)30-22-8-6-7-20(16-22)27(33)31-21-11-12-21/h3-10,13-17,21,30H,11-12H2,1-2H3,(H,31,33)
InChIKeyHKVWVECLAVNJPQ-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.28
Rot. Bonds7

About N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide

N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide (PubChem CID 46146590) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide
PubChem CID46146590
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide
SMILESCc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C28H26N4O3/c1-18-13-19(2)15-24(14-18)35-25-17-29-32(23-9-4-3-5-10-23)28(34)26(25)30-22-8-6-7-20(16-22)27(33)31-21-11-12-21/h3-10,13-17,21,30H,11-12H2,1-2H3,(H,31,33)
InChIKeyHKVWVECLAVNJPQ-UHFFFAOYSA-N
XLogP5.28
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide
CID 42832502
3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46146592
3-[[2-(3-chlorophenyl)-5-(3,4-dimethylphenoxy)-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
CID 42832620
3-[[5-(3-chlorophenoxy)-2-(3-chlorophenyl)-3-oxopyridazin-4-yl]amino]benzoic acid
CID 42830238
5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one
CID 46147918
3-[[5-(4-chlorophenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 42830823
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497
3-[[2-(4-chlorophenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 42833444
4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
CID 42831437
3-[[5-(4-chloro-3-methylphenoxy)-2-(3-fluorophenyl)-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46002261
4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
CID 42831252
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide (CID 46146590) is N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide is Cc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)NC3CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide?
The InChIKey is HKVWVECLAVNJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-18-13-19(2)15-24(14-18)35-25-17-29-32(23-9-4-3-5-10-23)28(34)26(25)30-22-8-6-7-20(16-22)27(33)31-21-11-12-21/h3-10,13-17,21,30H,11-12H2,1-2H3,(H,31,33).
What are the key properties of N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide?
N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide has a molecular weight of 466.54 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide is sourced from PubChem (CID 46146590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).