2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide

C21H20ClN3O3 — CID 113034700

IUPAC2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)nc2)c(OC)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-17-8-9-18(19(12-17)28-2)24-16-7-10-20(23-13-16)25-21(26)11-14-3-5-15(22)6-4-14/h3-10,12-13,24H,11H2,1-2H3,(H,23,25,26)
InChIKeyBSMROCQVAHSPIF-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.68
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide

2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide (PubChem CID 113034700) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
PubChem CID113034700
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)nc2)c(OC)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-17-8-9-18(19(12-17)28-2)24-16-7-10-20(23-13-16)25-21(26)11-14-3-5-15(22)6-4-14/h3-10,12-13,24H,11H2,1-2H3,(H,23,25,26)
InChIKeyBSMROCQVAHSPIF-UHFFFAOYSA-N
XLogP4.68
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034682
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113036450
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide (CID 113034700) is 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide is COc1ccc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)nc2)c(OC)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide?
The InChIKey is BSMROCQVAHSPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-17-8-9-18(19(12-17)28-2)24-16-7-10-20(23-13-16)25-21(26)11-14-3-5-15(22)6-4-14/h3-10,12-13,24H,11H2,1-2H3,(H,23,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113034700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).