3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide

C18H12Cl2N2O — CID 26727633

IUPAC3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C18H12Cl2N2O/c19-14-10-11-16(20)22-17(14)18(23)21-15-9-5-4-8-13(15)12-6-2-1-3-7-12/h1-11H,(H,21,23)
InChIKeyDIJJIHJAQVLSHY-UHFFFAOYSA-N
MW343.21 g/mol
LogP5.31
Rot. Bonds3

About 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide

3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide (PubChem CID 26727633) has the molecular formula C18H12Cl2N2O and a molecular weight of 343.21 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide
PubChem CID26727633
Molecular FormulaC18H12Cl2N2O
Molecular Weight343.21 g/mol
Exact Mass342.03
IUPAC Name3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C18H12Cl2N2O/c19-14-10-11-16(20)22-17(14)18(23)21-15-9-5-4-8-13(15)12-6-2-1-3-7-12/h1-11H,(H,21,23)
InChIKeyDIJJIHJAQVLSHY-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.21
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
CID 60651008
3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 79042463
3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide
CID 47019756
2-chloro-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 30888506
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309
3,6-dichloro-N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 26783735
4-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide (CID 26727633) is 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide?
The InChIKey is DIJJIHJAQVLSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O/c19-14-10-11-16(20)22-17(14)18(23)21-15-9-5-4-8-13(15)12-6-2-1-3-7-12/h1-11H,(H,21,23).
What are the key properties of 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide has a molecular weight of 343.21 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26727633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).