3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide

C20H18ClN3O — CID 113016786

IUPAC3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cn2)c(C)c1
InChIInChI=1S/C20H18ClN3O/c1-13-6-8-18(14(2)10-13)24-19-9-7-17(12-22-19)23-20(25)15-4-3-5-16(21)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQVLDIBRAZOUYKB-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.35
Rot. Bonds4

About 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide

3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide (PubChem CID 113016786) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
PubChem CID113016786
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cn2)c(C)c1
InChIInChI=1S/C20H18ClN3O/c1-13-6-8-18(14(2)10-13)24-19-9-7-17(12-22-19)23-20(25)15-4-3-5-16(21)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQVLDIBRAZOUYKB-UHFFFAOYSA-N
XLogP5.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 18419410
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021502
N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
CID 113022321
N-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021470
3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017754
N-[5-(2,4-dimethylanilino)-2-pyridinyl]benzamide
CID 113031952
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113016868
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113018852

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide (CID 113016786) is 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide is Cc1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cn2)c(C)c1.
What is the InChIKey of 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide?
The InChIKey is QVLDIBRAZOUYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-13-6-8-18(14(2)10-13)24-19-9-7-17(12-22-19)23-20(25)15-4-3-5-16(21)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide?
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide has a molecular weight of 351.84 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113016786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).