N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide

C21H20ClN3O3 — CID 113018440

IUPACN-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccccc3Cl)nc2)cc1OC
InChIInChI=1S/C21H20ClN3O3/c1-27-18-9-7-14(11-19(18)28-2)12-21(26)24-15-8-10-20(23-13-15)25-17-6-4-3-5-16(17)22/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHSGGPECNCYTSCO-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.68
Rot. Bonds7

About N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113018440) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID113018440
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccccc3Cl)nc2)cc1OC
InChIInChI=1S/C21H20ClN3O3/c1-27-18-9-7-14(11-19(18)28-2)12-21(26)24-15-8-10-20(23-13-15)25-17-6-4-3-5-16(17)22/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHSGGPECNCYTSCO-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-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
6-(2-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159947
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113018700
2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
CID 113032344
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014017
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 113018440) is N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3ccccc3Cl)nc2)cc1OC.
What is the InChIKey of N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is HSGGPECNCYTSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-18-9-7-14(11-19(18)28-2)12-21(26)24-15-8-10-20(23-13-15)25-17-6-4-3-5-16(17)22/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)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 N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113018440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).