2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide

C25H21N3O3 — CID 127024268

IUPAC2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cccnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C25H21N3O3/c1-17-4-2-13-27-24(17)19-6-8-20(9-7-19)28(16-18-5-3-12-26-15-18)25(31)22-11-10-21(29)14-23(22)30/h2-15,29-30H,16H2,1H3
InChIKeyRVEFUILLSGBHGC-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.71
Rot. Bonds5

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

2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 127024268) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID127024268
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cccnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C25H21N3O3/c1-17-4-2-13-27-24(17)19-6-8-20(9-7-19)28(16-18-5-3-12-26-15-18)25(31)22-11-10-21(29)14-23(22)30/h2-15,29-30H,16H2,1H3
InChIKeyRVEFUILLSGBHGC-UHFFFAOYSA-N
XLogP4.71
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide (CID 127024268) is 2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide is Cc1cccnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of 2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is RVEFUILLSGBHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17-4-2-13-27-24(17)19-6-8-20(9-7-19)28(16-18-5-3-12-26-15-18)25(31)22-11-10-21(29)14-23(22)30/h2-15,29-30H,16H2,1H3.
What are the key properties of 2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 411.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[4-(3-methyl-2-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 127024268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).