5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide

C19H14F2N4O2 — CID 109106077

IUPAC5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1cccnc1)c1cncc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H14F2N4O2/c20-15-3-4-17(16(21)7-15)25-19(27)14-6-13(10-23-11-14)18(26)24-9-12-2-1-5-22-8-12/h1-8,10-11H,9H2,(H,24,26)(H,25,27)
InChIKeyRKLYUVPTWFXWGU-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.94
Rot. Bonds5

About 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide

5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109106077) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109106077
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1cccnc1)c1cncc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H14F2N4O2/c20-15-3-4-17(16(21)7-15)25-19(27)14-6-13(10-23-11-14)18(26)24-9-12-2-1-5-22-8-12/h1-8,10-11H,9H2,(H,24,26)(H,25,27)
InChIKeyRKLYUVPTWFXWGU-UHFFFAOYSA-N
XLogP2.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,4-difluorophenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106175
N-(2,4-difluorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235467
5-N-(2,6-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106084
5-N-(4-chloro-2-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106048
3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105993
N-(2,4-difluorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963619
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109105080
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109106036
5-(2,4-difluoroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235610
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide (CID 109106077) is 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide is O=C(NCc1cccnc1)c1cncc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is RKLYUVPTWFXWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c20-15-3-4-17(16(21)7-15)25-19(27)14-6-13(10-23-11-14)18(26)24-9-12-2-1-5-22-8-12/h1-8,10-11H,9H2,(H,24,26)(H,25,27).
What are the key properties of 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 368.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).