N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide

C23H31N3O3 — CID 27542834

IUPACN-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2cccc(C)c2C)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C23H31N3O3/c1-16-8-10-25(11-9-16)13-19-12-21(27)22(29-4)14-26(19)15-23(28)24-20-7-5-6-17(2)18(20)3/h5-7,12,14,16H,8-11,13,15H2,1-4H3,(H,24,28)
InChIKeyLBTDJPQKGRTXKV-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.34
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide

N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 27542834) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID27542834
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2cccc(C)c2C)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C23H31N3O3/c1-16-8-10-25(11-9-16)13-19-12-21(27)22(29-4)14-26(19)15-23(28)24-20-7-5-6-17(2)18(20)3/h5-7,12,14,16H,8-11,13,15H2,1-4H3,(H,24,28)
InChIKeyLBTDJPQKGRTXKV-UHFFFAOYSA-N
XLogP3.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 18566890
N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
CID 27603314
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27603366
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide
CID 18566942
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 18566938
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 27369068
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 18566937
N-(2,3-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 78795520
N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide
CID 75489675
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 27444932
N-cyclopentyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide
CID 44826930
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (CID 27542834) is N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)Nc2cccc(C)c2C)c(CN2CCC(C)CC2)cc1=O.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is LBTDJPQKGRTXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16-8-10-25(11-9-16)13-19-12-21(27)22(29-4)14-26(19)15-23(28)24-20-7-5-6-17(2)18(20)3/h5-7,12,14,16H,8-11,13,15H2,1-4H3,(H,24,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 27542834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).