2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide

C22H22N2O2 — CID 169227231

IUPAC2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide
SMILESCc1cc(-c2ccccc2C(=O)N(C)C)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16-13-18(19-11-7-8-12-20(19)22(26)23(2)3)14-21(25)24(16)15-17-9-5-4-6-10-17/h4-14H,15H2,1-3H3
InChIKeyIHQVPXYVHAOGFD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.57
Rot. Bonds4

About 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide

2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide (PubChem CID 169227231) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide
PubChem CID169227231
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide
SMILESCc1cc(-c2ccccc2C(=O)N(C)C)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16-13-18(19-11-7-8-12-20(19)22(26)23(2)3)14-21(25)24(16)15-17-9-5-4-6-10-17/h4-14H,15H2,1-3H3
InChIKeyIHQVPXYVHAOGFD-UHFFFAOYSA-N
XLogP3.57
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide?
The IUPAC name of 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide (CID 169227231) is 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide?
The canonical SMILES for 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide is Cc1cc(-c2ccccc2C(=O)N(C)C)cc(=O)n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide?
The InChIKey is IHQVPXYVHAOGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-13-18(19-11-7-8-12-20(19)22(26)23(2)3)14-21(25)24(16)15-17-9-5-4-6-10-17/h4-14H,15H2,1-3H3.
What are the key properties of 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide?
2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 169227231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).