2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile

C19H21N3O2 — CID 3012806

IUPAC2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(CC#N)c1
InChIInChI=1S/C19H21N3O2/c1-5-15-12(2)21-19(24)17(22(3)4)16(15)18(23)14-8-6-7-13(11-14)9-10-20/h6-8,11H,5,9H2,1-4H3,(H,21,24)
InChIKeyFGYAUCAXQBHSEJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.61
Rot. Bonds5

About 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile

2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile (PubChem CID 3012806) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile
PubChem CID3012806
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(CC#N)c1
InChIInChI=1S/C19H21N3O2/c1-5-15-12(2)21-19(24)17(22(3)4)16(15)18(23)14-8-6-7-13(11-14)9-10-20/h6-8,11H,5,9H2,1-4H3,(H,21,24)
InChIKeyFGYAUCAXQBHSEJ-UHFFFAOYSA-N
XLogP2.61
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile?
The IUPAC name of 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile (CID 3012806) is 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile?
The canonical SMILES for 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(CC#N)c1.
What is the InChIKey of 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile?
The InChIKey is FGYAUCAXQBHSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-5-15-12(2)21-19(24)17(22(3)4)16(15)18(23)14-8-6-7-13(11-14)9-10-20/h6-8,11H,5,9H2,1-4H3,(H,21,24).
What are the key properties of 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile?
2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile has a molecular weight of 323.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile is sourced from PubChem (CID 3012806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).