N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide

C25H24N4O4 — CID 127024227

IUPACN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2cccc3c2cnn3C)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C25H24N4O4/c1-27(2)24(32)16-7-9-18(10-8-16)29(25(33)20-12-11-19(30)13-23(20)31)15-17-5-4-6-22-21(17)14-26-28(22)3/h4-14,30-31H,15H2,1-3H3
InChIKeyQFRTXITVKHJYLC-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.53
Rot. Bonds5

About N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide

N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide (PubChem CID 127024227) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide
PubChem CID127024227
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2cccc3c2cnn3C)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C25H24N4O4/c1-27(2)24(32)16-7-9-18(10-8-16)29(25(33)20-12-11-19(30)13-23(20)31)15-17-5-4-6-22-21(17)14-26-28(22)3/h4-14,30-31H,15H2,1-3H3
InChIKeyQFRTXITVKHJYLC-UHFFFAOYSA-N
XLogP3.53
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide (CID 127024227) is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide is CN(C)C(=O)c1ccc(N(Cc2cccc3c2cnn3C)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide?
The InChIKey is QFRTXITVKHJYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-27(2)24(32)16-7-9-18(10-8-16)29(25(33)20-12-11-19(30)13-23(20)31)15-17-5-4-6-22-21(17)14-26-28(22)3/h4-14,30-31H,15H2,1-3H3.
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide?
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide has a molecular weight of 444.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide is sourced from PubChem (CID 127024227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).