4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C27H22N2O3 — CID 168586733

IUPAC4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C27H22N2O3/c1-19-12-25(26(16-28)27(30)29-19)22-13-23(31-17-20-8-4-2-5-9-20)15-24(14-22)32-18-21-10-6-3-7-11-21/h2-15H,17-18H2,1H3,(H,29,30)
InChIKeySRUJEOJDKQAFBU-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.38
Rot. Bonds7

About 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586733) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586733
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C27H22N2O3/c1-19-12-25(26(16-28)27(30)29-19)22-13-23(31-17-20-8-4-2-5-9-20)15-24(14-22)32-18-21-10-6-3-7-11-21/h2-15H,17-18H2,1H3,(H,29,30)
InChIKeySRUJEOJDKQAFBU-UHFFFAOYSA-N
XLogP5.38
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584640
6-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587033
[5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-3-methoxy-2-phenylmethoxyphenyl]boronic acid
CID 168585730
6-methyl-4-(4-methyl-2-phenylmethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168585258
4-[3-[(2-fluorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586741
4-[4-[(2-bromophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586570
4-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586305
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
CID 168586784
6-methyl-4-[2-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168586968
4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586891
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584786

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586733) is 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SRUJEOJDKQAFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-19-12-25(26(16-28)27(30)29-19)22-13-23(31-17-20-8-4-2-5-9-20)15-24(14-22)32-18-21-10-6-3-7-11-21/h2-15H,17-18H2,1H3,(H,29,30).
What are the key properties of 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 422.48 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).