5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

C19H15F2N3O — CID 42845812

IUPAC5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cncc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H15F2N3O/c20-17-5-4-13(10-18(17)21)14-9-15(12-22-11-14)19(25)24-8-6-16-3-1-2-7-23-16/h1-5,7,9-12H,6,8H2,(H,24,25)
InChIKeyXKJATTCTNUGBSP-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.39
Rot. Bonds5

About 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 42845812) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID42845812
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cncc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H15F2N3O/c20-17-5-4-13(10-18(17)21)14-9-15(12-22-11-14)19(25)24-8-6-16-3-1-2-7-23-16/h1-5,7,9-12H,6,8H2,(H,24,25)
InChIKeyXKJATTCTNUGBSP-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42845828
5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 46032971
5-(2-fluorophenyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 46033116
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111192072
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111192071
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960
N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235200
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 42845812) is 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccn1)c1cncc(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is XKJATTCTNUGBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c20-17-5-4-13(10-18(17)21)14-9-15(12-22-11-14)19(25)24-8-6-16-3-1-2-7-23-16/h1-5,7,9-12H,6,8H2,(H,24,25).
What are the key properties of 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42845812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).