N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide

C20H16Cl2N2O2S — CID 143531022

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide
SMILESCSc1cccc(Oc2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccn2)c1
InChIInChI=1S/C20H16Cl2N2O2S/c1-27-17-4-2-3-16(11-17)26-19-9-13(7-8-23-19)20(25)24-12-14-5-6-15(21)10-18(14)22/h2-11H,12H2,1H3,(H,24,25)
InChIKeyZIOMYHSDNUCMIH-UHFFFAOYSA-N
MW419.33 g/mol
LogP5.83
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide (PubChem CID 143531022) has the molecular formula C20H16Cl2N2O2S and a molecular weight of 419.33 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide
PubChem CID143531022
Molecular FormulaC20H16Cl2N2O2S
Molecular Weight419.33 g/mol
Exact Mass418.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide
SMILESCSc1cccc(Oc2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccn2)c1
InChIInChI=1S/C20H16Cl2N2O2S/c1-27-17-4-2-3-16(11-17)26-19-9-13(7-8-23-19)20(25)24-12-14-5-6-15(21)10-18(14)22/h2-11H,12H2,1H3,(H,24,25)
InChIKeyZIOMYHSDNUCMIH-UHFFFAOYSA-N
XLogP5.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide
CID 86967797
3-acetamido-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 17397210
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
CID 24743430
N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide
CID 70703420
N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide
CID 143530854
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119908
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide (CID 143531022) is N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide is CSc1cccc(Oc2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccn2)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide?
The InChIKey is ZIOMYHSDNUCMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2S/c1-27-17-4-2-3-16(11-17)26-19-9-13(7-8-23-19)20(25)24-12-14-5-6-15(21)10-18(14)22/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide has a molecular weight of 419.33 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 143531022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).