2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide

C20H19N3O4 — CID 102340686

IUPAC2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cn2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-16-10-18(27-3)17(26-2)9-15(16)20(24)23-19-7-6-14(12-22-19)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)
InChIKeyFXBDLRLOFDUIGF-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.42
Rot. Bonds6

About 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide

2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide (PubChem CID 102340686) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide
PubChem CID102340686
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cn2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-16-10-18(27-3)17(26-2)9-15(16)20(24)23-19-7-6-14(12-22-19)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)
InChIKeyFXBDLRLOFDUIGF-UHFFFAOYSA-N
XLogP3.42
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide (CID 102340686) is 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide is COc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cn2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide?
The InChIKey is FXBDLRLOFDUIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-16-10-18(27-3)17(26-2)9-15(16)20(24)23-19-7-6-14(12-22-19)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide?
2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide has a molecular weight of 365.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-(5-pyridin-3-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 102340686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).