N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide

C21H21N3O2 — CID 113019533

IUPACN-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-4-3-5-16(12-15)13-21(25)24-18-8-11-20(22-14-18)23-17-6-9-19(26-2)10-7-17/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRPNHUQOALFQGPU-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.32
Rot. Bonds6

About N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide

N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (PubChem CID 113019533) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
PubChem CID113019533
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-4-3-5-16(12-15)13-21(25)24-18-8-11-20(22-14-18)23-17-6-9-19(26-2)10-7-17/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRPNHUQOALFQGPU-UHFFFAOYSA-N
XLogP4.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018155
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
CID 113021762
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113018700
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022692
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (CID 113019533) is N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is COc1ccc(Nc2ccc(NC(=O)Cc3cccc(C)c3)cn2)cc1.
What is the InChIKey of N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The InChIKey is RPNHUQOALFQGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-4-3-5-16(12-15)13-21(25)24-18-8-11-20(22-14-18)23-17-6-9-19(26-2)10-7-17/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113019533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).