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

C23H21Cl3N2O2 — CID 10151772

IUPAC2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide
SMILESCCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(=O)NC
InChIInChI=1S/C23H21Cl3N2O2/c1-3-4-11-30-23-19(22(29)27-2)13-18(14-5-7-15(24)8-6-14)21(28-23)17-10-9-16(25)12-20(17)26/h5-10,12-13H,3-4,11H2,1-2H3,(H,27,29)
InChIKeyNNWDXJFZYJCWJY-UHFFFAOYSA-N
MW463.79 g/mol
LogP6.91
Rot. Bonds7

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

2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide (PubChem CID 10151772) has the molecular formula C23H21Cl3N2O2 and a molecular weight of 463.79 g/mol. Its IUPAC name is 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide
PubChem CID10151772
Molecular FormulaC23H21Cl3N2O2
Molecular Weight463.79 g/mol
Exact Mass462.07
IUPAC Name2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide
SMILESCCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(=O)NC
InChIInChI=1S/C23H21Cl3N2O2/c1-3-4-11-30-23-19(22(29)27-2)13-18(14-5-7-15(24)8-6-14)21(28-23)17-10-9-16(25)12-20(17)26/h5-10,12-13H,3-4,11H2,1-2H3,(H,27,29)
InChIKeyNNWDXJFZYJCWJY-UHFFFAOYSA-N
XLogP6.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.79
LogP ≤ 56.91
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)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide (CID 10151772) is 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide is CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(=O)NC.
What is the InChIKey of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is NNWDXJFZYJCWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2O2/c1-3-4-11-30-23-19(22(29)27-2)13-18(14-5-7-15(24)8-6-14)21(28-23)17-10-9-16(25)12-20(17)26/h5-10,12-13H,3-4,11H2,1-2H3,(H,27,29).
What are the key properties of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide?
2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 463.79 g/mol, XLogP of 6.91, 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)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 10151772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).