3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide

C23H23ClN2O2 — CID 69438815

IUPAC3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-25(2)22(27)13-7-17-3-8-19(9-4-17)20-10-14-23(28)26(16-20)15-18-5-11-21(24)12-6-18/h3-6,8-12,14,16H,7,13,15H2,1-2H3
InChIKeyRGXJWZZBHUMAIP-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.24
Rot. Bonds6

About 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide

3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide (PubChem CID 69438815) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide
PubChem CID69438815
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-25(2)22(27)13-7-17-3-8-19(9-4-17)20-10-14-23(28)26(16-20)15-18-5-11-21(24)12-6-18/h3-6,8-12,14,16H,7,13,15H2,1-2H3
InChIKeyRGXJWZZBHUMAIP-UHFFFAOYSA-N
XLogP4.24
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide (CID 69438815) is 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide?
The InChIKey is RGXJWZZBHUMAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-25(2)22(27)13-7-17-3-8-19(9-4-17)20-10-14-23(28)26(16-20)15-18-5-11-21(24)12-6-18/h3-6,8-12,14,16H,7,13,15H2,1-2H3.
What are the key properties of 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide?
3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide has a molecular weight of 394.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 69438815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).