N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide

C12H9Cl2N3O — CID 59618313

IUPACN-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide
SMILESNc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C12H9Cl2N3O/c13-8-2-1-3-9(14)11(8)12(18)17-7-4-5-16-10(15)6-7/h1-6H,(H3,15,16,17,18)
InChIKeyLNYGUDBEQCHOAZ-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.22
Rot. Bonds2

About N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide

N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide (PubChem CID 59618313) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide
PubChem CID59618313
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide
SMILESNc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C12H9Cl2N3O/c13-8-2-1-3-9(14)11(8)12(18)17-7-4-5-16-10(15)6-7/h1-6H,(H3,15,16,17,18)
InChIKeyLNYGUDBEQCHOAZ-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide (CID 59618313) is N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide is Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide?
The InChIKey is LNYGUDBEQCHOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-8-2-1-3-9(14)11(8)12(18)17-7-4-5-16-10(15)6-7/h1-6H,(H3,15,16,17,18).
What are the key properties of N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide?
N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide has a molecular weight of 282.13 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-pyridinyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 59618313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).