4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C20H13N3O2 — CID 168585760

IUPAC4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(Oc3ccc(C#N)cc3)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C20H13N3O2/c1-13-9-18(19(12-22)20(24)23-13)15-3-2-4-17(10-15)25-16-7-5-14(11-21)6-8-16/h2-10H,1H3,(H,23,24)
InChIKeyMSDAOFKMYGHGHQ-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.89
Rot. Bonds3

About 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585760) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585760
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(Oc3ccc(C#N)cc3)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C20H13N3O2/c1-13-9-18(19(12-22)20(24)23-13)15-3-2-4-17(10-15)25-16-7-5-14(11-21)6-8-16/h2-10H,1H3,(H,23,24)
InChIKeyMSDAOFKMYGHGHQ-UHFFFAOYSA-N
XLogP3.89
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
4-[3-[(5-bromo-2-pyridinyl)oxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585983
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
CID 168586784
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
4-[3-[(2-fluorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586741
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
CID 168585684
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
6-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587033
6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585987

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585760) is 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cccc(Oc3ccc(C#N)cc3)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MSDAOFKMYGHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c1-13-9-18(19(12-22)20(24)23-13)15-3-2-4-17(10-15)25-16-7-5-14(11-21)6-8-16/h2-10H,1H3,(H,23,24).
What are the key properties of 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 327.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).