5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

C20H18FN3O2 — CID 109190439

IUPAC5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3cccc(F)c3)cn2)cc1
InChIInChI=1S/C20H18FN3O2/c1-26-18-8-5-14(6-9-18)12-23-20(25)19-10-7-17(13-22-19)24-16-4-2-3-15(21)11-16/h2-11,13,24H,12H2,1H3,(H,23,25)
InChIKeyZLLWUXMJLUJFMM-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.90
Rot. Bonds6

About 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109190439) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109190439
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3cccc(F)c3)cn2)cc1
InChIInChI=1S/C20H18FN3O2/c1-26-18-8-5-14(6-9-18)12-23-20(25)19-10-7-17(13-22-19)24-16-4-2-3-15(21)11-16/h2-11,13,24H,12H2,1H3,(H,23,25)
InChIKeyZLLWUXMJLUJFMM-UHFFFAOYSA-N
XLogP3.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190451
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190539
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191278
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109189659
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109190439) is 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(Nc3cccc(F)c3)cn2)cc1.
What is the InChIKey of 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZLLWUXMJLUJFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-18-8-5-14(6-9-18)12-23-20(25)19-10-7-17(13-22-19)24-16-4-2-3-15(21)11-16/h2-11,13,24H,12H2,1H3,(H,23,25).
What are the key properties of 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109190439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).