bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one

C34H32N6O6 — CID 67748285

IUPACbis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.O=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/2C12H12N2O2.C10H8N2O2/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10/h2*3-8H,1-2H3;1-6H,(H,11,13)(H,12,14)
InChIKeyVYRZYCBIVRQSMW-UHFFFAOYSA-N
MW620.67 g/mol
LogP5.05
Rot. Bonds7

About bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one

bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one (PubChem CID 67748285) has the molecular formula C34H32N6O6 and a molecular weight of 620.67 g/mol. Its IUPAC name is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
PubChem CID67748285
Molecular FormulaC34H32N6O6
Molecular Weight620.67 g/mol
Exact Mass620.24
IUPAC Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.O=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/2C12H12N2O2.C10H8N2O2/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10/h2*3-8H,1-2H3;1-6H,(H,11,13)(H,12,14)
InChIKeyVYRZYCBIVRQSMW-UHFFFAOYSA-N
XLogP5.05
TPSA154.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.67
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
The IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one (CID 67748285) is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
The canonical SMILES for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one is COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.O=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1.
What is the InChIKey of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
The InChIKey is VYRZYCBIVRQSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2O2.C10H8N2O2/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10/h2*3-8H,1-2H3;1-6H,(H,11,13)(H,12,14).
What are the key properties of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one has a molecular weight of 620.67 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 67748285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).