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

C18H13F2N3O — CID 42845828

IUPAC5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(-c2cccc(F)c2F)c1
InChIInChI=1S/C18H13F2N3O/c19-16-6-3-5-15(17(16)20)12-8-13(10-21-9-12)18(24)23-11-14-4-1-2-7-22-14/h1-10H,11H2,(H,23,24)
InChIKeyFNGGMFADHMYZJR-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.35
Rot. Bonds4

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

5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 42845828) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID42845828
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(-c2cccc(F)c2F)c1
InChIInChI=1S/C18H13F2N3O/c19-16-6-3-5-15(17(16)20)12-8-13(10-21-9-12)18(24)23-11-14-4-1-2-7-22-14/h1-10H,11H2,(H,23,24)
InChIKeyFNGGMFADHMYZJR-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 46032971
5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 42845812
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234938
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055054
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 42845828) is 5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccccn1)c1cncc(-c2cccc(F)c2F)c1.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is FNGGMFADHMYZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c19-16-6-3-5-15(17(16)20)12-8-13(10-21-9-12)18(24)23-11-14-4-1-2-7-22-14/h1-10H,11H2,(H,23,24).
What are the key properties of 5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42845828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).