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

C19H14Cl2FN3O3 — CID 91350937

IUPAC2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cc(F)cnc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl2FN3O3/c1-27-18-11(3-2-6-23-18)9-24-17(26)14-8-13(22)10-25-19(14)28-16-7-12(20)4-5-15(16)21/h2-8,10H,9H2,1H3,(H,24,26)
InChIKeyJAIPJBUEXFSUTN-UHFFFAOYSA-N
MW422.24 g/mol
LogP4.65
Rot. Bonds6

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

2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 91350937) has the molecular formula C19H14Cl2FN3O3 and a molecular weight of 422.24 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID91350937
Molecular FormulaC19H14Cl2FN3O3
Molecular Weight422.24 g/mol
Exact Mass421.04
IUPAC Name2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cc(F)cnc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl2FN3O3/c1-27-18-11(3-2-6-23-18)9-24-17(26)14-8-13(22)10-25-19(14)28-16-7-12(20)4-5-15(16)21/h2-8,10H,9H2,1H3,(H,24,26)
InChIKeyJAIPJBUEXFSUTN-UHFFFAOYSA-N
XLogP4.65
TPSA73.34 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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873
2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide
CID 90878947
4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 123825583
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547696
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810334
4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide
CID 71929536
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 91350937) is 2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is COc1ncccc1CNC(=O)c1cc(F)cnc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is JAIPJBUEXFSUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O3/c1-27-18-11(3-2-6-23-18)9-24-17(26)14-8-13(22)10-25-19(14)28-16-7-12(20)4-5-15(16)21/h2-8,10H,9H2,1H3,(H,24,26).
What are the key properties of 2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 422.24 g/mol, XLogP of 4.65, 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-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91350937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).