2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide

C18H21N3O4 — CID 113163882

IUPAC2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccncc2)C(C)=O)c1
InChIInChI=1S/C18H21N3O4/c1-13(22)21(11-14-6-8-19-9-7-14)12-18(23)20-16-10-15(24-2)4-5-17(16)25-3/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyZWBVLYWDNIRPSY-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.09
Rot. Bonds7

About 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide

2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 113163882) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID113163882
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccncc2)C(C)=O)c1
InChIInChI=1S/C18H21N3O4/c1-13(22)21(11-14-6-8-19-9-7-14)12-18(23)20-16-10-15(24-2)4-5-17(16)25-3/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyZWBVLYWDNIRPSY-UHFFFAOYSA-N
XLogP2.09
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 113163139
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113163149
2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113166588
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140115
N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024024
N-(2,5-dimethoxyphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8907896
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113163941
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide (CID 113163882) is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(Cc2ccncc2)C(C)=O)c1.
What is the InChIKey of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is ZWBVLYWDNIRPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13(22)21(11-14-6-8-19-9-7-14)12-18(23)20-16-10-15(24-2)4-5-17(16)25-3/h4-10H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113163882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).