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

C20H17Cl2N3O — CID 18419410

IUPAC2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cn2)c(C)c1
InChIInChI=1S/C20H17Cl2N3O/c1-12-6-8-17(13(2)10-12)25-18-9-7-14(11-23-18)24-20(26)19-15(21)4-3-5-16(19)22/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyUCYNKIZRVJRJLP-UHFFFAOYSA-N
MW386.28 g/mol
LogP6.00
Rot. Bonds4

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

2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide (PubChem CID 18419410) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
PubChem CID18419410
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cn2)c(C)c1
InChIInChI=1S/C20H17Cl2N3O/c1-12-6-8-17(13(2)10-12)25-18-9-7-14(11-23-18)24-20(26)19-15(21)4-3-5-16(19)22/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyUCYNKIZRVJRJLP-UHFFFAOYSA-N
XLogP6.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021502
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
tert-butyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
N-[5-(2,4-dimethylanilino)-2-pyridinyl]benzamide
CID 113031952
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
N-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021470
N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031951
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide (CID 18419410) is 2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide is Cc1ccc(Nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cn2)c(C)c1.
What is the InChIKey of 2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide?
The InChIKey is UCYNKIZRVJRJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-12-6-8-17(13(2)10-12)25-18-9-7-14(11-23-18)24-20(26)19-15(21)4-3-5-16(19)22/h3-11H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide?
2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide has a molecular weight of 386.28 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 18419410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).