2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide

C22H19Cl3N2O2 — CID 10216983

IUPAC2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide
SMILESCCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(N)=O
InChIInChI=1S/C22H19Cl3N2O2/c1-2-3-10-29-22-18(21(26)28)12-17(13-4-6-14(23)7-5-13)20(27-22)16-9-8-15(24)11-19(16)25/h4-9,11-12H,2-3,10H2,1H3,(H2,26,28)
InChIKeyNETQVEVBNHBPTM-UHFFFAOYSA-N
MW449.77 g/mol
LogP6.65
Rot. Bonds7

About 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide

2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 10216983) has the molecular formula C22H19Cl3N2O2 and a molecular weight of 449.77 g/mol. Its IUPAC name is 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide
PubChem CID10216983
Molecular FormulaC22H19Cl3N2O2
Molecular Weight449.77 g/mol
Exact Mass448.05
IUPAC Name2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide
SMILESCCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(N)=O
InChIInChI=1S/C22H19Cl3N2O2/c1-2-3-10-29-22-18(21(26)28)12-17(13-4-6-14(23)7-5-13)20(27-22)16-9-8-15(24)11-19(16)25/h4-9,11-12H,2-3,10H2,1H3,(H2,26,28)
InChIKeyNETQVEVBNHBPTM-UHFFFAOYSA-N
XLogP6.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide (CID 10216983) is 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide is CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(N)=O.
What is the InChIKey of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is NETQVEVBNHBPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O2/c1-2-3-10-29-22-18(21(26)28)12-17(13-4-6-14(23)7-5-13)20(27-22)16-9-8-15(24)11-19(16)25/h4-9,11-12H,2-3,10H2,1H3,(H2,26,28).
What are the key properties of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide?
2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 449.77 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10216983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).