(6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone

C20H18N2O4 — CID 155522853

IUPAC(6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3cccnc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O4/c1-24-17-10-14(11-18(25-2)20(17)26-3)19(23)16-8-4-7-15(22-16)13-6-5-9-21-12-13/h4-12H,1-3H3
InChIKeyXIBDVGKMEXNEJM-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.40
Rot. Bonds6

About (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone

(6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155522853) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155522853
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3cccnc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O4/c1-24-17-10-14(11-18(25-2)20(17)26-3)19(23)16-8-4-7-15(22-16)13-6-5-9-21-12-13/h4-12H,1-3H3
InChIKeyXIBDVGKMEXNEJM-UHFFFAOYSA-N
XLogP3.40
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone (CID 155522853) is (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(-c3cccnc3)n2)cc(OC)c1OC.
What is the InChIKey of (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is XIBDVGKMEXNEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-17-10-14(11-18(25-2)20(17)26-3)19(23)16-8-4-7-15(22-16)13-6-5-9-21-12-13/h4-12H,1-3H3.
What are the key properties of (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
(6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 350.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155522853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).