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

C30H30N4O4 — CID 46146592

IUPAC3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C30H30N4O4/c1-20-14-21(2)16-26(15-20)38-27-19-32-34(24-10-4-3-5-11-24)30(36)28(27)33-23-9-6-8-22(17-23)29(35)31-18-25-12-7-13-37-25/h3-6,8-11,14-17,19,25,33H,7,12-13,18H2,1-2H3,(H,31,35)
InChIKeyFTIVLPNUPJFQOP-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.29
Rot. Bonds8

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

3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46146592) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46146592
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C30H30N4O4/c1-20-14-21(2)16-26(15-20)38-27-19-32-34(24-10-4-3-5-11-24)30(36)28(27)33-23-9-6-8-22(17-23)29(35)31-18-25-12-7-13-37-25/h3-6,8-11,14-17,19,25,33H,7,12-13,18H2,1-2H3,(H,31,35)
InChIKeyFTIVLPNUPJFQOP-UHFFFAOYSA-N
XLogP5.29
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide with MolForge

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Related Compounds

N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide
CID 46146590
3-[[5-(4-chloro-3-methylphenoxy)-2-(3-fluorophenyl)-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46002261
4-[[2-(4-methoxyphenyl)-3-oxo-5-phenoxypyridazin-4-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93158758
3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46114849
3-[[2-(3-chlorophenyl)-5-(3,4-dimethylphenoxy)-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
CID 42832620
4-[[5-(2,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46148858
3-[[2-(4-chlorophenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 42833444
3-[[5-(4-chloro-3-methylphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 46006259
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
CID 42831437
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 46146592) is 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is FTIVLPNUPJFQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-20-14-21(2)16-26(15-20)38-27-19-32-34(24-10-4-3-5-11-24)30(36)28(27)33-23-9-6-8-22(17-23)29(35)31-18-25-12-7-13-37-25/h3-6,8-11,14-17,19,25,33H,7,12-13,18H2,1-2H3,(H,31,35).
What are the key properties of 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 510.59 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46146592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).