N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide

C21H20ClN3O3 — CID 113033839

IUPACN-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)COc2ccc(C)cc2)nc1
InChIInChI=1S/C21H20ClN3O3/c1-14-3-7-17(8-4-14)28-13-21(26)25-20-10-6-16(12-23-20)24-18-11-15(22)5-9-19(18)27-2/h3-12,24H,13H2,1-2H3,(H,23,25,26)
InChIKeySYBUBPQYLFXEJC-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.81
Rot. Bonds7

About N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide

N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113033839) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
PubChem CID113033839
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)COc2ccc(C)cc2)nc1
InChIInChI=1S/C21H20ClN3O3/c1-14-3-7-17(8-4-14)28-13-21(26)25-20-10-6-16(12-23-20)24-18-11-15(22)5-9-19(18)27-2/h3-12,24H,13H2,1-2H3,(H,23,25,26)
InChIKeySYBUBPQYLFXEJC-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide
CID 113019773
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
N-[4-(2,5-dimethoxyanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112987885
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048769
2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034522
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032048

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide (CID 113033839) is N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide is COc1ccc(Cl)cc1Nc1ccc(NC(=O)COc2ccc(C)cc2)nc1.
What is the InChIKey of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is SYBUBPQYLFXEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-3-7-17(8-4-14)28-13-21(26)25-20-10-6-16(12-23-20)24-18-11-15(22)5-9-19(18)27-2/h3-12,24H,13H2,1-2H3,(H,23,25,26).
What are the key properties of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113033839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).