N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide

C26H23N3O5 — CID 127024357

IUPACN-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)cc1OC
InChIInChI=1S/C26H23N3O5/c1-33-24-13-22(28-15-25(24)34-2)18-5-7-19(8-6-18)29(16-17-4-3-11-27-14-17)26(32)21-10-9-20(30)12-23(21)31/h3-15,30-31H,16H2,1-2H3
InChIKeyHEXHAXYTCHXSDE-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.42
Rot. Bonds7

About N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide

N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 127024357) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID127024357
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)cc1OC
InChIInChI=1S/C26H23N3O5/c1-33-24-13-22(28-15-25(24)34-2)18-5-7-19(8-6-18)29(16-17-4-3-11-27-14-17)26(32)21-10-9-20(30)12-23(21)31/h3-15,30-31H,16H2,1-2H3
InChIKeyHEXHAXYTCHXSDE-UHFFFAOYSA-N
XLogP4.42
TPSA105.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide (CID 127024357) is N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide is COc1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)cc1OC.
What is the InChIKey of N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is HEXHAXYTCHXSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-33-24-13-22(28-15-25(24)34-2)18-5-7-19(8-6-18)29(16-17-4-3-11-27-14-17)26(32)21-10-9-20(30)12-23(21)31/h3-15,30-31H,16H2,1-2H3.
What are the key properties of N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 457.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 127024357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).