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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Related Compounds

6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-B]pyridine-4-carboxamide (enantiomeric mix)
CID 46891274
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinic acid methyl ester
CID 10127751
Methyl 2-(3,4-difluorobenzyloxy)-6-(2,4-dichlorophenyl)-5-(4-chlorophenyl)pyridine-3-carboxylate
CID 10128697
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-methyl-nicotinamide
CID 10151772
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 10152740
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-methyl-nicotinamide
CID 10174842
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-isopropyl-nicotinamide
CID 10196577
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-(2-fluoro-ethyl)-nicotinamide
CID 10218471
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-N-methyl-nicotinamide
CID 10239221
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 10289044
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-nicotinic acid methyl ester
CID 10311368
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-ethyl-nicotinamide
CID 10311846

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).