N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide

C21H21N3O — CID 113017656

IUPACN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide
SMILESCCc1cccc(C)c1Nc1ccc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C21H21N3O/c1-3-16-11-7-8-15(2)20(16)24-19-13-12-18(14-22-19)23-21(25)17-9-5-4-6-10-17/h4-14H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOFBZPROZANSTLF-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.95
Rot. Bonds5

About N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide

N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide (PubChem CID 113017656) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide
PubChem CID113017656
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide
SMILESCCc1cccc(C)c1Nc1ccc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C21H21N3O/c1-3-16-11-7-8-15(2)20(16)24-19-13-12-18(14-22-19)23-21(25)17-9-5-4-6-10-17/h4-14H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOFBZPROZANSTLF-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
CID 113017964
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017659
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032663
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017196
N-(4-acetamidophenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109198611
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
CID 113017171

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide?
The IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide (CID 113017656) is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide is CCc1cccc(C)c1Nc1ccc(NC(=O)c2ccccc2)cn1.
What is the InChIKey of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide?
The InChIKey is OFBZPROZANSTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-16-11-7-8-15(2)20(16)24-19-13-12-18(14-22-19)23-21(25)17-9-5-4-6-10-17/h4-14H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide?
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113017656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).