5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide

C12H9Cl2N3O — CID 2365419

IUPAC5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H9Cl2N3O/c1-7-2-3-15-10(4-7)17-12(18)8-5-9(13)11(14)16-6-8/h2-6H,1H3,(H,15,17,18)
InChIKeyBJESMWRIZREHHY-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

About 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide

5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 2365419) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID2365419
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H9Cl2N3O/c1-7-2-3-15-10(4-7)17-12(18)8-5-9(13)11(14)16-6-8/h2-6H,1H3,(H,15,17,18)
InChIKeyBJESMWRIZREHHY-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide (CID 2365419) is 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide is Cc1ccnc(NC(=O)c2cnc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is BJESMWRIZREHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-2-3-15-10(4-7)17-12(18)8-5-9(13)11(14)16-6-8/h2-6H,1H3,(H,15,17,18).
What are the key properties of 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide?
5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 282.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 2365419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).