4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C21H16F3N3O2 — CID 44593407

IUPAC4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H16F3N3O2/c1-13-7-8-14(10-18(13)20(29)27-17-6-3-9-25-12-17)19(28)26-16-5-2-4-15(11-16)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyRAKQGQRMHIXLRO-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.91
Rot. Bonds4

About 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 44593407) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID44593407
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H16F3N3O2/c1-13-7-8-14(10-18(13)20(29)27-17-6-3-9-25-12-17)19(28)26-16-5-2-4-15(11-16)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyRAKQGQRMHIXLRO-UHFFFAOYSA-N
XLogP4.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 44593407) is 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is RAKQGQRMHIXLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-13-7-8-14(10-18(13)20(29)27-17-6-3-9-25-12-17)19(28)26-16-5-2-4-15(11-16)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 399.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-pyridin-3-yl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 44593407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).