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

C34H32N6O2 — CID 67748351

IUPACbis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/2C12H12N2.C10H8N2O2/c2*1-9-3-5-13-11(7-9)12-8-10(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)
InChIKeyKYDYHNNJWCRCHX-UHFFFAOYSA-N
MW556.67 g/mol
LogP6.25
Rot. Bonds3

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

bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one (PubChem CID 67748351) has the molecular formula C34H32N6O2 and a molecular weight of 556.67 g/mol. Its IUPAC name is bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Namebis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
PubChem CID67748351
Molecular FormulaC34H32N6O2
Molecular Weight556.67 g/mol
Exact Mass556.26
IUPAC Namebis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/2C12H12N2.C10H8N2O2/c2*1-9-3-5-13-11(7-9)12-8-10(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)
InChIKeyKYDYHNNJWCRCHX-UHFFFAOYSA-N
XLogP6.25
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
The IUPAC name of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one (CID 67748351) is bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
The canonical SMILES for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1.
What is the InChIKey of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
The InChIKey is KYDYHNNJWCRCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2.C10H8N2O2/c2*1-9-3-5-13-11(7-9)12-8-10(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-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one has a molecular weight of 556.67 g/mol, XLogP of 6.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 67748351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).