4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide

C20H11F3N4O2 — CID 109093370

IUPAC4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H11F3N4O2/c21-13-5-6-15(18(23)17(13)22)27-20(29)16-9-11(7-8-25-16)19(28)26-14-4-2-1-3-12(14)10-24/h1-9H,(H,26,28)(H,27,29)
InChIKeySJWQAHPSKRJBLX-UHFFFAOYSA-N
MW396.33 g/mol
LogP3.88
Rot. Bonds4

About 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide

4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109093370) has the molecular formula C20H11F3N4O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109093370
Molecular FormulaC20H11F3N4O2
Molecular Weight396.33 g/mol
Exact Mass396.08
IUPAC Name4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H11F3N4O2/c21-13-5-6-15(18(23)17(13)22)27-20(29)16-9-11(7-8-25-16)19(28)26-14-4-2-1-3-12(14)10-24/h1-9H,(H,26,28)(H,27,29)
InChIKeySJWQAHPSKRJBLX-UHFFFAOYSA-N
XLogP3.88
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222708
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782
2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092586
4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109087202
2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109086163
N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130365
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
2-N-butyl-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079552
2-N-(2-cyanophenyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087198

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide (CID 109093370) is 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide is N#Cc1ccccc1NC(=O)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is SJWQAHPSKRJBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4O2/c21-13-5-6-15(18(23)17(13)22)27-20(29)16-9-11(7-8-25-16)19(28)26-14-4-2-1-3-12(14)10-24/h1-9H,(H,26,28)(H,27,29).
What are the key properties of 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 396.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109093370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).