4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

C27H19N3O4 — CID 108811382

IUPAC4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4cccc(-c5ccc(=O)[nH]n5)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H19N3O4/c1-16-5-11-24-21(13-16)23(31)15-25(34-24)17-6-8-18(9-7-17)27(33)28-20-4-2-3-19(14-20)22-10-12-26(32)30-29-22/h2-15H,1H3,(H,28,33)(H,30,32)
InChIKeySJBRMOJPHQVDTC-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.77
Rot. Bonds4

About 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 108811382) has the molecular formula C27H19N3O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID108811382
Molecular FormulaC27H19N3O4
Molecular Weight449.47 g/mol
Exact Mass449.14
IUPAC Name4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4cccc(-c5ccc(=O)[nH]n5)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H19N3O4/c1-16-5-11-24-21(13-16)23(31)15-25(34-24)17-6-8-18(9-7-17)27(33)28-20-4-2-3-19(14-20)22-10-12-26(32)30-29-22/h2-15H,1H3,(H,28,33)(H,30,32)
InChIKeySJBRMOJPHQVDTC-UHFFFAOYSA-N
XLogP4.77
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(6-methyl-4-oxochromen-2-yl)-N-(3-nitrophenyl)benzamide
CID 108803167
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790358
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (CID 108811382) is 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4cccc(-c5ccc(=O)[nH]n5)c4)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is SJBRMOJPHQVDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O4/c1-16-5-11-24-21(13-16)23(31)15-25(34-24)17-6-8-18(9-7-17)27(33)28-20-4-2-3-19(14-20)22-10-12-26(32)30-29-22/h2-15H,1H3,(H,28,33)(H,30,32).
What are the key properties of 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 449.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 108811382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).