6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one

C19H18N2O4 — CID 71699330

IUPAC6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
SMILESCOc1cc(-n2c(-c3ccncc3)cccc2=O)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-11-14(12-17(24-2)19(16)25-3)21-15(5-4-6-18(21)22)13-7-9-20-10-8-13/h4-12H,1-3H3
InChIKeyBDNVXSREIWPVRA-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.93
Rot. Bonds5

About 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one

6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one (PubChem CID 71699330) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
PubChem CID71699330
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
SMILESCOc1cc(-n2c(-c3ccncc3)cccc2=O)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-11-14(12-17(24-2)19(16)25-3)21-15(5-4-6-18(21)22)13-7-9-20-10-8-13/h4-12H,1-3H3
InChIKeyBDNVXSREIWPVRA-UHFFFAOYSA-N
XLogP2.93
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
The IUPAC name of 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one (CID 71699330) is 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one.
What is the SMILES notation for 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
The canonical SMILES for 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one is COc1cc(-n2c(-c3ccncc3)cccc2=O)cc(OC)c1OC.
What is the InChIKey of 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
The InChIKey is BDNVXSREIWPVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-16-11-14(12-17(24-2)19(16)25-3)21-15(5-4-6-18(21)22)13-7-9-20-10-8-13/h4-12H,1-3H3.
What are the key properties of 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one has a molecular weight of 338.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one is sourced from PubChem (CID 71699330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).