2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide

C21H20ClN3O2 — CID 113026614

IUPAC2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
SMILESCc1cccc(CNc2ccc(NC(=O)COc3ccc(Cl)cc3)nc2)c1
InChIInChI=1S/C21H20ClN3O2/c1-15-3-2-4-16(11-15)12-23-18-7-10-20(24-13-18)25-21(26)14-27-19-8-5-17(22)6-9-19/h2-11,13,23H,12,14H2,1H3,(H,24,25,26)
InChIKeyPTJYVQHMORFCRB-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.67
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide

2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide (PubChem CID 113026614) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
PubChem CID113026614
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
SMILESCc1cccc(CNc2ccc(NC(=O)COc3ccc(Cl)cc3)nc2)c1
InChIInChI=1S/C21H20ClN3O2/c1-15-3-2-4-16(11-15)12-23-18-7-10-20(24-13-18)25-21(26)14-27-19-8-5-17(22)6-9-19/h2-11,13,23H,12,14H2,1H3,(H,24,25,26)
InChIKeyPTJYVQHMORFCRB-UHFFFAOYSA-N
XLogP4.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
CID 113017182
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026605
2-(4-chlorophenoxy)-N-[5-(2,6-difluoroanilino)-2-pyridinyl]acetamide
CID 113037511
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113031026
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide
CID 113019773

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide (CID 113026614) is 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide is Cc1cccc(CNc2ccc(NC(=O)COc3ccc(Cl)cc3)nc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide?
The InChIKey is PTJYVQHMORFCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-15-3-2-4-16(11-15)12-23-18-7-10-20(24-13-18)25-21(26)14-27-19-8-5-17(22)6-9-19/h2-11,13,23H,12,14H2,1H3,(H,24,25,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide has a molecular weight of 381.86 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide is sourced from PubChem (CID 113026614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).