2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide

C18H21N3O4 — CID 113174544

IUPAC2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccncc2)C(C)=O)c1
InChIInChI=1S/C18H21N3O4/c1-13(22)21(16-10-15(24-2)4-5-17(16)25-3)12-18(23)20-11-14-6-8-19-9-7-14/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyPNTZZIBCEGEPTQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.77
Rot. Bonds7

About 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113174544) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113174544
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccncc2)C(C)=O)c1
InChIInChI=1S/C18H21N3O4/c1-13(22)21(16-10-15(24-2)4-5-17(16)25-3)12-18(23)20-11-14-6-8-19-9-7-14/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyPNTZZIBCEGEPTQ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113174542
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113168470
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174647
2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169052
2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113179578
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 113174544) is 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide is COc1ccc(OC)c(N(CC(=O)NCc2ccncc2)C(C)=O)c1.
What is the InChIKey of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PNTZZIBCEGEPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13(22)21(16-10-15(24-2)4-5-17(16)25-3)12-18(23)20-11-14-6-8-19-9-7-14/h4-10H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113174544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).