N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide

C22H23N3O — CID 113017964

IUPACN-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
SMILESCCc1cccc(CC)c1Nc1ccc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C22H23N3O/c1-3-16-11-8-12-17(4-2)21(16)25-20-14-13-19(15-23-20)24-22(26)18-9-6-5-7-10-18/h5-15H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQCFBIAULBSCWFO-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.20
Rot. Bonds6

About N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide

N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide (PubChem CID 113017964) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
PubChem CID113017964
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
SMILESCCc1cccc(CC)c1Nc1ccc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C22H23N3O/c1-3-16-11-8-12-17(4-2)21(16)25-20-14-13-19(15-23-20)24-22(26)18-9-6-5-7-10-18/h5-15H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQCFBIAULBSCWFO-UHFFFAOYSA-N
XLogP5.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.20
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-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017659
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113017972
N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021208
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
N-(6-benzamido-3-pyridinyl)-5-ethyl-1-methylpyrazole-4-carboxamide
CID 75373577
N-[5-(4-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034337
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide?
The IUPAC name of N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide (CID 113017964) is N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide is CCc1cccc(CC)c1Nc1ccc(NC(=O)c2ccccc2)cn1.
What is the InChIKey of N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide?
The InChIKey is QCFBIAULBSCWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-16-11-8-12-17(4-2)21(16)25-20-14-13-19(15-23-20)24-22(26)18-9-6-5-7-10-18/h5-15H,3-4H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide?
N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113017964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).