3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide

C14H10Cl4N2O3 — CID 18281458

IUPAC3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc(OC)c1
InChIInChI=1S/C14H10Cl4N2O3/c1-22-7-3-6(4-8(5-7)23-2)19-14(21)12-10(16)9(15)11(17)13(18)20-12/h3-5H,1-2H3,(H,19,21)
InChIKeyBQZAUZDQQNKJAC-UHFFFAOYSA-N
MW396.06 g/mol
LogP4.96
Rot. Bonds4

About 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide

3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 18281458) has the molecular formula C14H10Cl4N2O3 and a molecular weight of 396.06 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID18281458
Molecular FormulaC14H10Cl4N2O3
Molecular Weight396.06 g/mol
Exact Mass393.94
IUPAC Name3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc(OC)c1
InChIInChI=1S/C14H10Cl4N2O3/c1-22-7-3-6(4-8(5-7)23-2)19-14(21)12-10(16)9(15)11(17)13(18)20-12/h3-5H,1-2H3,(H,19,21)
InChIKeyBQZAUZDQQNKJAC-UHFFFAOYSA-N
XLogP4.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.06
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 26086305
3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 27906964
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797
3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 26522722
N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195130
N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide
CID 18270916
3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 46568178
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 9011295
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 30272266
3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 26727984

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide (CID 18281458) is 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc(OC)c1.
What is the InChIKey of 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is BQZAUZDQQNKJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O3/c1-22-7-3-6(4-8(5-7)23-2)19-14(21)12-10(16)9(15)11(17)13(18)20-12/h3-5H,1-2H3,(H,19,21).
What are the key properties of 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 396.06 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 18281458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).