2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

C19H14Cl2FN3O3 — CID 91025856

IUPAC2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(F)c1cnc(Oc2cc(Cl)ccc2Cl)c(C(N)=O)c1
InChIInChI=1S/C19H14Cl2FN3O3/c1-27-18-12(3-2-6-24-18)16(22)10-7-13(17(23)26)19(25-9-10)28-15-8-11(20)4-5-14(15)21/h2-9,16H,1H3,(H2,23,26)
InChIKeyYDKYQZIPAQPSFH-UHFFFAOYSA-N
MW422.24 g/mol
LogP4.74
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 91025856) has the molecular formula C19H14Cl2FN3O3 and a molecular weight of 422.24 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID91025856
Molecular FormulaC19H14Cl2FN3O3
Molecular Weight422.24 g/mol
Exact Mass421.04
IUPAC Name2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(F)c1cnc(Oc2cc(Cl)ccc2Cl)c(C(N)=O)c1
InChIInChI=1S/C19H14Cl2FN3O3/c1-27-18-12(3-2-6-24-18)16(22)10-7-13(17(23)26)19(25-9-10)28-15-8-11(20)4-5-14(15)21/h2-9,16H,1H3,(H2,23,26)
InChIKeyYDKYQZIPAQPSFH-UHFFFAOYSA-N
XLogP4.74
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(2-chloro-5-fluorophenoxy)pyridine-3-carboxamide
CID 141112105
2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91350937
2-(2,5-dichlorophenoxy)-N-(4-methoxy-3-pyridinyl)-N-methylpyridine-3-carboxamide
CID 46194847
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide
CID 59294517
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
CID 170944074
5-chloro-2-(2,6-difluorophenoxy)pyridine-3-carboxamide
CID 141125071
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol
CID 91548233
2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide
CID 90878947

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 91025856) is 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is COc1ncccc1C(F)c1cnc(Oc2cc(Cl)ccc2Cl)c(C(N)=O)c1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is YDKYQZIPAQPSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O3/c1-27-18-12(3-2-6-24-18)16(22)10-7-13(17(23)26)19(25-9-10)28-15-8-11(20)4-5-14(15)21/h2-9,16H,1H3,(H2,23,26).
What are the key properties of 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 422.24 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-5-[fluoro-(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91025856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).