3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide

C14H10F3N3O2 — CID 90303181

IUPAC3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)10-4-5-19-11(7-10)20-13(22)9-3-1-2-8(6-9)12(18)21/h1-7H,(H2,18,21)(H,19,20,22)
InChIKeyUXCSDKWTUMLUQT-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.45
Rot. Bonds3

About 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide

3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide (PubChem CID 90303181) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
PubChem CID90303181
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)10-4-5-19-11(7-10)20-13(22)9-3-1-2-8(6-9)12(18)21/h1-7H,(H2,18,21)(H,19,20,22)
InChIKeyUXCSDKWTUMLUQT-UHFFFAOYSA-N
XLogP2.45
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-bromo-3-(1,1-difluoroethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 86727855
imidazo[1,5-a]pyrazine;N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 157412726
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide (CID 90303181) is 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccn2)c1.
What is the InChIKey of 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide?
The InChIKey is UXCSDKWTUMLUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c15-14(16,17)10-4-5-19-11(7-10)20-13(22)9-3-1-2-8(6-9)12(18)21/h1-7H,(H2,18,21)(H,19,20,22).
What are the key properties of 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide?
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide has a molecular weight of 309.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 90303181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).