4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide

C16H14Cl5N3O — CID 5182415

IUPAC4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
SMILESCCCCNc1c(Cl)c(Cl)nc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl5N3O/c1-2-3-6-22-13-11(14(20)24-15(21)12(13)19)16(25)23-10-7-8(17)4-5-9(10)18/h4-5,7H,2-3,6H2,1H3,(H,22,24)(H,23,25)
InChIKeySEARITQUTYEEES-UHFFFAOYSA-N
MW441.57 g/mol
LogP6.81
Rot. Bonds6

About 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide

4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 5182415) has the molecular formula C16H14Cl5N3O and a molecular weight of 441.57 g/mol. Its IUPAC name is 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
PubChem CID5182415
Molecular FormulaC16H14Cl5N3O
Molecular Weight441.57 g/mol
Exact Mass438.96
IUPAC Name4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
SMILESCCCCNc1c(Cl)c(Cl)nc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl5N3O/c1-2-3-6-22-13-11(14(20)24-15(21)12(13)19)16(25)23-10-7-8(17)4-5-9(10)18/h4-5,7H,2-3,6H2,1H3,(H,22,24)(H,23,25)
InChIKeySEARITQUTYEEES-UHFFFAOYSA-N
XLogP6.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide
CID 109110754
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966461
N-(2,5-dichlorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237097
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
N-(5-chloro-2-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354447

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide (CID 5182415) is 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide is CCCCNc1c(Cl)c(Cl)nc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is SEARITQUTYEEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl5N3O/c1-2-3-6-22-13-11(14(20)24-15(21)12(13)19)16(25)23-10-7-8(17)4-5-9(10)18/h4-5,7H,2-3,6H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide?
4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 441.57 g/mol, XLogP of 6.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 5182415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).