2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide

C23H25N3O3 — CID 113034522

IUPAC2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3OC(C)C)cn2)cc1
InChIInChI=1S/C23H25N3O3/c1-16(2)29-21-7-5-4-6-20(21)25-18-10-13-22(24-14-18)26-23(27)15-28-19-11-8-17(3)9-12-19/h4-14,16,25H,15H2,1-3H3,(H,24,26,27)
InChIKeyKFQAYAVFVIQFSI-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.94
Rot. Bonds8

About 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide

2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide (PubChem CID 113034522) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
PubChem CID113034522
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3OC(C)C)cn2)cc1
InChIInChI=1S/C23H25N3O3/c1-16(2)29-21-7-5-4-6-20(21)25-18-10-13-22(24-14-18)26-23(27)15-28-19-11-8-17(3)9-12-19/h4-14,16,25H,15H2,1-3H3,(H,24,26,27)
InChIKeyKFQAYAVFVIQFSI-UHFFFAOYSA-N
XLogP4.94
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-ethoxyanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113034277
2-ethyl-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]butanamide
CID 113034496
2-(2-fluorophenyl)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034524
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113033006
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide (CID 113034522) is 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3OC(C)C)cn2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide?
The InChIKey is KFQAYAVFVIQFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(2)29-21-7-5-4-6-20(21)25-18-10-13-22(24-14-18)26-23(27)15-28-19-11-8-17(3)9-12-19/h4-14,16,25H,15H2,1-3H3,(H,24,26,27).
What are the key properties of 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide?
2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113034522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).