1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide

C17H22N2O2 — CID 53015386

IUPAC1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCCNC(=O)C1=CCN(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C17H22N2O2/c1-4-18-16(20)14-7-9-19(10-8-14)17(21)15-6-5-12(2)11-13(15)3/h5-7,11H,4,8-10H2,1-3H3,(H,18,20)
InChIKeyWPIUVVJSJZJXHL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.21
Rot. Bonds3

About 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide

1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53015386) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53015386
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCCNC(=O)C1=CCN(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C17H22N2O2/c1-4-18-16(20)14-7-9-19(10-8-14)17(21)15-6-5-12(2)11-13(15)3/h5-7,11H,4,8-10H2,1-3H3,(H,18,20)
InChIKeyWPIUVVJSJZJXHL-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53015386) is 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide is CCNC(=O)C1=CCN(C(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is WPIUVVJSJZJXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-18-16(20)14-7-9-19(10-8-14)17(21)15-6-5-12(2)11-13(15)3/h5-7,11H,4,8-10H2,1-3H3,(H,18,20).
What are the key properties of 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylbenzoyl)-N-ethyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53015386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).