N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide

C22H23N3O — CID 113017659

IUPACN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
SMILESCCc1cccc(C)c1Nc1ccc(NC(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C22H23N3O/c1-4-17-7-5-6-16(3)21(17)25-20-13-12-19(14-23-20)24-22(26)18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUBLLGFOTJVXWET-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.26
Rot. Bonds5

About N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide

N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide (PubChem CID 113017659) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
PubChem CID113017659
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
SMILESCCc1cccc(C)c1Nc1ccc(NC(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C22H23N3O/c1-4-17-7-5-6-16(3)21(17)25-20-13-12-19(14-23-20)24-22(26)18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUBLLGFOTJVXWET-UHFFFAOYSA-N
XLogP5.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide
CID 113017656
N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
CID 113017964
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032663
N-(2-ethyl-6-methylphenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109162989
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide (CID 113017659) is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide is CCc1cccc(C)c1Nc1ccc(NC(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide?
The InChIKey is UBLLGFOTJVXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-17-7-5-6-16(3)21(17)25-20-13-12-19(14-23-20)24-22(26)18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide?
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide has a molecular weight of 345.45 g/mol, XLogP of 5.26, 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]-4-methylbenzamide is sourced from PubChem (CID 113017659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).