4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

C27H26N4O5 — CID 3377434

IUPAC4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26N4O5/c1-16-14-24(32)30-31-25(16)19-8-13-22(28-26(33)17-4-9-20(35-2)10-5-17)23(15-19)29-27(34)18-6-11-21(36-3)12-7-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,29,34)(H,30,32)
InChIKeyUGMDEIJMTLDWMB-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.07
Rot. Bonds7

About 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 3377434) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID3377434
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Name4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26N4O5/c1-16-14-24(32)30-31-25(16)19-8-13-22(28-26(33)17-4-9-20(35-2)10-5-17)23(15-19)29-27(34)18-6-11-21(36-3)12-7-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,29,34)(H,30,32)
InChIKeyUGMDEIJMTLDWMB-UHFFFAOYSA-N
XLogP4.07
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712
N-(4-amino-4''-methoxybiphenyl-3-yl)benzamide
CID 46887379
(5R)-6-[4-({2-[(2-methoxyphenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647033
(5R)-6-[4-({2-[(4-methoxyphenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647040
4-methoxy-N-[2-(4-methylphenyl)-1-oxotriazolo[1,2-a][1,2,4]benzotriazin-5-yl]benzamide
CID 23656936
3-[4-[[2-[(4-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44352035
3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44352133
2,2,2-trifluoro-N-{3-[N-(4-methoxybenzoyl)ethanehydrazonoyl]phenyl}acetamide
CID 5431238
3-[2-(4-methoxyphenyl)-2,3-dihydro-1H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44292846
N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide
CID 2561395
4-methoxy-N-[2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]benzamide
CID 5019834
N-(2-Acetylamino-phenyl)-3-[(2-methoxy-benzoyl)-hydrazono]-butyramide
CID 9592590

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (CID 3377434) is 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is UGMDEIJMTLDWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-16-14-24(32)30-31-25(16)19-8-13-22(28-26(33)17-4-9-20(35-2)10-5-17)23(15-19)29-27(34)18-6-11-21(36-3)12-7-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,29,34)(H,30,32).
What are the key properties of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 486.53 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 3377434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).