4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C18H20N2O2 — CID 168585799

IUPAC4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc(C(C)(C)C)ccc1-c1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C18H20N2O2/c1-11-8-14(15(10-19)17(21)20-11)13-7-6-12(18(2,3)4)9-16(13)22-5/h6-9H,1-5H3,(H,20,21)
InChIKeyIZDOJFPXRCQSSD-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.53
Rot. Bonds2

About 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585799) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585799
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc(C(C)(C)C)ccc1-c1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C18H20N2O2/c1-11-8-14(15(10-19)17(21)20-11)13-7-6-12(18(2,3)4)9-16(13)22-5/h6-9H,1-5H3,(H,20,21)
InChIKeyIZDOJFPXRCQSSD-UHFFFAOYSA-N
XLogP3.53
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butyl-2-methoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168588781
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587349
[5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl]boronic acid
CID 168584762
4-(3-fluoro-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585469
4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82639427
4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586809
4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586093
6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585987
6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
6-methyl-4-(4-methyl-2-phenylmethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168585258
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585799) is 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is COc1cc(C(C)(C)C)ccc1-c1cc(C)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is IZDOJFPXRCQSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-8-14(15(10-19)17(21)20-11)13-7-6-12(18(2,3)4)9-16(13)22-5/h6-9H,1-5H3,(H,20,21).
What are the key properties of 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).