N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide

C12H9Cl2N3O — CID 16776804

IUPACN-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)c1cccnc1
InChIInChI=1S/C12H9Cl2N3O/c13-8-4-9(14)11(10(15)5-8)17-12(18)7-2-1-3-16-6-7/h1-6H,15H2,(H,17,18)
InChIKeyQLEDQBSJXQZWSH-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.22
Rot. Bonds2

About N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide

N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 16776804) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide
PubChem CID16776804
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)c1cccnc1
InChIInChI=1S/C12H9Cl2N3O/c13-8-4-9(14)11(10(15)5-8)17-12(18)7-2-1-3-16-6-7/h1-6H,15H2,(H,17,18)
InChIKeyQLEDQBSJXQZWSH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
N-(2-amino-4,6-difluorophenyl)pyridine-3-carboxamide
CID 81315271
N-(2-amino-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 56773226
N-(2-amino-4,6-dichlorophenyl)naphthalene-2-carboxamide
CID 16776490
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 70120337
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55963098
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047878

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide (CID 16776804) is N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide is Nc1cc(Cl)cc(Cl)c1NC(=O)c1cccnc1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is QLEDQBSJXQZWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-8-4-9(14)11(10(15)5-8)17-12(18)7-2-1-3-16-6-7/h1-6H,15H2,(H,17,18).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide?
N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide 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-4,6-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 16776804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).