2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide

C24H20N4O3 — CID 127035208

IUPAC2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccnnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C24H20N4O3/c1-16-10-12-26-27-23(16)18-4-6-19(7-5-18)28(15-17-3-2-11-25-14-17)24(31)21-9-8-20(29)13-22(21)30/h2-14,29-30H,15H2,1H3
InChIKeyYDFAOTKZLIYIAB-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.11
Rot. Bonds5

About 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide

2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 127035208) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID127035208
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccnnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C24H20N4O3/c1-16-10-12-26-27-23(16)18-4-6-19(7-5-18)28(15-17-3-2-11-25-14-17)24(31)21-9-8-20(29)13-22(21)30/h2-14,29-30H,15H2,1H3
InChIKeyYDFAOTKZLIYIAB-UHFFFAOYSA-N
XLogP4.11
TPSA99.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide (CID 127035208) is 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccnnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is YDFAOTKZLIYIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-16-10-12-26-27-23(16)18-4-6-19(7-5-18)28(15-17-3-2-11-25-14-17)24(31)21-9-8-20(29)13-22(21)30/h2-14,29-30H,15H2,1H3.
What are the key properties of 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 127035208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).