N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide

C22H22ClN3O2 — CID 113029025

IUPACN-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NCCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-16-2-9-20(10-3-16)28-15-22(27)26-21-11-8-19(14-25-21)24-13-12-17-4-6-18(23)7-5-17/h2-11,14,24H,12-13,15H2,1H3,(H,25,26,27)
InChIKeySEJGHIIGAXDTDQ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.72
Rot. Bonds8

About N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide

N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113029025) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
PubChem CID113029025
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NCCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-16-2-9-20(10-3-16)28-15-22(27)26-21-11-8-19(14-25-21)24-13-12-17-4-6-18(23)7-5-17/h2-11,14,24H,12-13,15H2,1H3,(H,25,26,27)
InChIKeySEJGHIIGAXDTDQ-UHFFFAOYSA-N
XLogP4.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028482
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026614
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113012140
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113031026
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
CID 112984120
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113031036
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide (CID 113029025) is N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(NCCc3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is SEJGHIIGAXDTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-16-2-9-20(10-3-16)28-15-22(27)26-21-11-8-19(14-25-21)24-13-12-17-4-6-18(23)7-5-17/h2-11,14,24H,12-13,15H2,1H3,(H,25,26,27).
What are the key properties of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 395.89 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113029025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).