2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide

C14H10Cl4N2O — CID 43235797

IUPAC2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4N2O/c1-7(10-3-2-9(15)6-11(10)16)19-14(21)8-4-12(17)20-13(18)5-8/h2-7H,1H3,(H,19,21)
InChIKeyKGSUFJSKOHCZCM-UHFFFAOYSA-N
MW364.06 g/mol
LogP5.19
Rot. Bonds3

About 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide

2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 43235797) has the molecular formula C14H10Cl4N2O and a molecular weight of 364.06 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID43235797
Molecular FormulaC14H10Cl4N2O
Molecular Weight364.06 g/mol
Exact Mass361.95
IUPAC Name2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4N2O/c1-7(10-3-2-9(15)6-11(10)16)19-14(21)8-4-12(17)20-13(18)5-8/h2-7H,1H3,(H,19,21)
InChIKeyKGSUFJSKOHCZCM-UHFFFAOYSA-N
XLogP5.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.06
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
3-cyano-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 4822223
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 47118898
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
CID 106852526
methyl 3-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-5-nitrobenzoate
CID 8503256
4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 78772937
2-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696610
N-[1-(2,4-dichlorophenyl)ethyl]-3-nitrobenzamide
CID 4793684
methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate
CID 32912046

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide (CID 43235797) is 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is KGSUFJSKOHCZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O/c1-7(10-3-2-9(15)6-11(10)16)19-14(21)8-4-12(17)20-13(18)5-8/h2-7H,1H3,(H,19,21).
What are the key properties of 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 364.06 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 43235797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).