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

C23H31N3O5 — CID 27603314

IUPACN-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCC(C)CC2)c1
InChIInChI=1S/C23H31N3O5/c1-16-7-9-25(10-8-16)13-17-11-20(27)22(31-4)14-26(17)15-23(28)24-19-12-18(29-2)5-6-21(19)30-3/h5-6,11-12,14,16H,7-10,13,15H2,1-4H3,(H,24,28)
InChIKeyVJRBGMHGVRWFSM-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.74
Rot. Bonds8

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

N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 27603314) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID27603314
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCC(C)CC2)c1
InChIInChI=1S/C23H31N3O5/c1-16-7-9-25(10-8-16)13-17-11-20(27)22(31-4)14-26(17)15-23(28)24-19-12-18(29-2)5-6-21(19)30-3/h5-6,11-12,14,16H,7-10,13,15H2,1-4H3,(H,24,28)
InChIKeyVJRBGMHGVRWFSM-UHFFFAOYSA-N
XLogP2.74
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
CID 27542834
N-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853166
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 18566890
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27603366
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 27444932
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide
CID 18566942
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 18566938

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (CID 27603314) is N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCC(C)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is VJRBGMHGVRWFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-16-7-9-25(10-8-16)13-17-11-20(27)22(31-4)14-26(17)15-23(28)24-19-12-18(29-2)5-6-21(19)30-3/h5-6,11-12,14,16H,7-10,13,15H2,1-4H3,(H,24,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 27603314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).