4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide

C17H10Cl3N3O2 — CID 73058486

IUPAC4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cn2)c(Cl)c1)c1cc(Cl)ccn1
InChIInChI=1S/C17H10Cl3N3O2/c18-10-5-6-21-14(7-10)17(24)23-12-2-3-15(13(20)8-12)25-16-4-1-11(19)9-22-16/h1-9H,(H,23,24)
InChIKeyHWNGAGNUHQGYFD-UHFFFAOYSA-N
MW394.65 g/mol
LogP5.48
Rot. Bonds4

About 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide

4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide (PubChem CID 73058486) has the molecular formula C17H10Cl3N3O2 and a molecular weight of 394.65 g/mol. Its IUPAC name is 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide
PubChem CID73058486
Molecular FormulaC17H10Cl3N3O2
Molecular Weight394.65 g/mol
Exact Mass392.98
IUPAC Name4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cn2)c(Cl)c1)c1cc(Cl)ccn1
InChIInChI=1S/C17H10Cl3N3O2/c18-10-5-6-21-14(7-10)17(24)23-12-2-3-15(13(20)8-12)25-16-4-1-11(19)9-22-16/h1-9H,(H,23,24)
InChIKeyHWNGAGNUHQGYFD-UHFFFAOYSA-N
XLogP5.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.65
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide
CID 73058458
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-4-methylbenzamide
CID 40541033
N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73058453
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-3-methylbenzamide;hydrochloride
CID 44641711
4-chloro-N-quinoxalin-6-ylpyridine-2-carboxamide
CID 47254903
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
CID 10113425
3,5-dichloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-hydroxybenzamide
CID 10116535
2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid
CID 115295635
N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 60748722
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide (CID 73058486) is 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cn2)c(Cl)c1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide?
The InChIKey is HWNGAGNUHQGYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3N3O2/c18-10-5-6-21-14(7-10)17(24)23-12-2-3-15(13(20)8-12)25-16-4-1-11(19)9-22-16/h1-9H,(H,23,24).
What are the key properties of 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide?
4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide has a molecular weight of 394.65 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 73058486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).