N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide

C17H16Cl4N2O2 — CID 18270916

IUPACN-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H16Cl4N2O2/c1-17(2,3)8-5-6-10(25-4)9(7-8)22-16(24)14-12(19)11(18)13(20)15(21)23-14/h5-7H,1-4H3,(H,22,24)
InChIKeyAAHLMJPLEPAKLH-UHFFFAOYSA-N
MW422.14 g/mol
LogP6.25
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide (PubChem CID 18270916) has the molecular formula C17H16Cl4N2O2 and a molecular weight of 422.14 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide
PubChem CID18270916
Molecular FormulaC17H16Cl4N2O2
Molecular Weight422.14 g/mol
Exact Mass420.00
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H16Cl4N2O2/c1-17(2,3)8-5-6-10(25-4)9(7-8)22-16(24)14-12(19)11(18)13(20)15(21)23-14/h5-7H,1-4H3,(H,22,24)
InChIKeyAAHLMJPLEPAKLH-UHFFFAOYSA-N
XLogP6.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.14
LogP ≤ 56.25
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

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CID 26522722
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N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
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3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 26086305
N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide
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(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
N-(5-tert-butyl-2-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7718762
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
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3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide (CID 18270916) is N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide?
The InChIKey is AAHLMJPLEPAKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4N2O2/c1-17(2,3)8-5-6-10(25-4)9(7-8)22-16(24)14-12(19)11(18)13(20)15(21)23-14/h5-7H,1-4H3,(H,22,24).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide has a molecular weight of 422.14 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide is sourced from PubChem (CID 18270916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).