5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide

C20H15ClFN3O5 — CID 163494304

IUPAC5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(O)ccc1Oc1ccc(F)c(Cl)c1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C20H15ClFN3O5/c1-29-16-8-11(26)3-6-14(16)30-15-7-4-12(22)18(21)17(15)20(28)25-10-2-5-13(19(23)27)24-9-10/h2-9,26H,1H3,(H2,23,27)(H,25,28)
InChIKeyCPJDYZHMXHAIAP-UHFFFAOYSA-N
MW431.81 g/mol
LogP3.73
Rot. Bonds6

About 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide

5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 163494304) has the molecular formula C20H15ClFN3O5 and a molecular weight of 431.81 g/mol. Its IUPAC name is 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide
PubChem CID163494304
Molecular FormulaC20H15ClFN3O5
Molecular Weight431.81 g/mol
Exact Mass431.07
IUPAC Name5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(O)ccc1Oc1ccc(F)c(Cl)c1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C20H15ClFN3O5/c1-29-16-8-11(26)3-6-14(16)30-15-7-4-12(22)18(21)17(15)20(28)25-10-2-5-13(19(23)27)24-9-10/h2-9,26H,1H3,(H2,23,27)(H,25,28)
InChIKeyCPJDYZHMXHAIAP-UHFFFAOYSA-N
XLogP3.73
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.81
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645470
5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137406923
5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406441
5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200253
N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406813
methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
CID 154984490
5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride
CID 159418736
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451
4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406601

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide (CID 163494304) is 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide is COc1cc(O)ccc1Oc1ccc(F)c(Cl)c1C(=O)Nc1ccc(C(N)=O)nc1.
What is the InChIKey of 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is CPJDYZHMXHAIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O5/c1-29-16-8-11(26)3-6-14(16)30-15-7-4-12(22)18(21)17(15)20(28)25-10-2-5-13(19(23)27)24-9-10/h2-9,26H,1H3,(H2,23,27)(H,25,28).
What are the key properties of 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide?
5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 431.81 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 163494304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).