N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide

C21H21N3O — CID 113031347

IUPACN-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(Nc2ccccc2C)cn1
InChIInChI=1S/C21H21N3O/c1-15-7-3-5-9-17(15)13-21(25)24-20-12-11-18(14-22-20)23-19-10-6-4-8-16(19)2/h3-12,14,23H,13H2,1-2H3,(H,22,24,25)
InChIKeyKEZNEFOEORLTKZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.62
Rot. Bonds5

About N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide

N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide (PubChem CID 113031347) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
PubChem CID113031347
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(Nc2ccccc2C)cn1
InChIInChI=1S/C21H21N3O/c1-15-7-3-5-9-17(15)13-21(25)24-20-12-11-18(14-22-20)23-19-10-6-4-8-16(19)2/h3-12,14,23H,13H2,1-2H3,(H,22,24,25)
InChIKeyKEZNEFOEORLTKZ-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113035538
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113037616
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277
N-[5-(cyclopropylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023745
2-(2-methoxyphenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031340
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033580
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449
N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014815

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide (CID 113031347) is N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(Nc2ccccc2C)cn1.
What is the InChIKey of N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The InChIKey is KEZNEFOEORLTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-7-3-5-9-17(15)13-21(25)24-20-12-11-18(14-22-20)23-19-10-6-4-8-16(19)2/h3-12,14,23H,13H2,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113031347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).