6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C17H18N2O2 — CID 168585037

IUPAC6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCCOc1ccc(-c2cc(C)[nH]c(=O)c2C#N)c(C)c1
InChIInChI=1S/C17H18N2O2/c1-4-7-21-13-5-6-14(11(2)8-13)15-9-12(3)19-17(20)16(15)10-18/h5-6,8-9H,4,7H2,1-3H3,(H,19,20)
InChIKeyNUYPWXRFZCHOLS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.32
Rot. Bonds4

About 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585037) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585037
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCCOc1ccc(-c2cc(C)[nH]c(=O)c2C#N)c(C)c1
InChIInChI=1S/C17H18N2O2/c1-4-7-21-13-5-6-14(11(2)8-13)15-9-12(3)19-17(20)16(15)10-18/h5-6,8-9H,4,7H2,1-3H3,(H,19,20)
InChIKeyNUYPWXRFZCHOLS-UHFFFAOYSA-N
XLogP3.32
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethyl-4-propoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586687
4-(3-chloro-4-propoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587004
6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585141
[2-butoxy-3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-5-methylphenyl]boronic acid
CID 168585330
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806
4-(3-butoxy-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585115
6-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585756
methyl 4-[2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]ethoxy]benzoate
CID 168585645
4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585236
4-(3-bromo-5-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586753
4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586093
4-(3-chloro-4-pentoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585088

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 168585037) is 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is CCCOc1ccc(-c2cc(C)[nH]c(=O)c2C#N)c(C)c1.
What is the InChIKey of 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is NUYPWXRFZCHOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-4-7-21-13-5-6-14(11(2)8-13)15-9-12(3)19-17(20)16(15)10-18/h5-6,8-9H,4,7H2,1-3H3,(H,19,20).
What are the key properties of 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).