6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile

C17H20N2O — CID 2763938

IUPAC6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile
SMILESCC1=C(C#N)CCC(=O)N1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H20N2O/c1-11-7-12(2)16(13(3)8-11)10-19-14(4)15(9-18)5-6-17(19)20/h7-8H,5-6,10H2,1-4H3
InChIKeyYLGOXBMFCHMBED-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.53
Rot. Bonds2

About 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile

6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile (PubChem CID 2763938) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile
PubChem CID2763938
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile
SMILESCC1=C(C#N)CCC(=O)N1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H20N2O/c1-11-7-12(2)16(13(3)8-11)10-19-14(4)15(9-18)5-6-17(19)20/h7-8H,5-6,10H2,1-4H3
InChIKeyYLGOXBMFCHMBED-UHFFFAOYSA-N
XLogP3.53
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile (CID 2763938) is 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile is CC1=C(C#N)CCC(=O)N1Cc1c(C)cc(C)cc1C.
What is the InChIKey of 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile?
The InChIKey is YLGOXBMFCHMBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-7-12(2)16(13(3)8-11)10-19-14(4)15(9-18)5-6-17(19)20/h7-8H,5-6,10H2,1-4H3.
What are the key properties of 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile?
6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 2763938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).