3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide

C15H9Cl2N3O — CID 47019756

IUPAC3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl2N3O/c16-10-6-7-12(17)19-14(10)15(21)20-13-8-5-9-3-1-2-4-11(9)18-13/h1-8H,(H,18,20,21)
InChIKeyVFEYHVXKOWKVTE-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.19
Rot. Bonds2

About 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide

3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide (PubChem CID 47019756) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide
PubChem CID47019756
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl2N3O/c16-10-6-7-12(17)19-14(10)15(21)20-13-8-5-9-3-1-2-4-11(9)18-13/h1-8H,(H,18,20,21)
InChIKeyVFEYHVXKOWKVTE-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.19
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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Related Compounds

3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide
CID 26727633
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
3,5-difluoro-N-quinolin-2-ylbenzamide
CID 51193516
2,3,4-trihydroxy-N-quinolin-2-ylbenzamide
CID 54185364
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
2-amino-N-quinolin-2-ylacetamide
CID 54505370
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
CID 60967376
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide (CID 47019756) is 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide is O=C(Nc1ccc2ccccc2n1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide?
The InChIKey is VFEYHVXKOWKVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-10-6-7-12(17)19-14(10)15(21)20-13-8-5-9-3-1-2-4-11(9)18-13/h1-8H,(H,18,20,21).
What are the key properties of 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide?
3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide has a molecular weight of 318.16 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 47019756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).