5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide

C21H17F3N4O2 — CID 24875320

IUPAC5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)=O)c1
InChIInChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
InChIKeySAAYRHKJHDIDPH-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.50
Rot. Bonds5

About 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide

5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide (PubChem CID 24875320) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide
PubChem CID24875320
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)=O)c1
InChIInChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
InChIKeySAAYRHKJHDIDPH-UHFFFAOYSA-N
XLogP4.50
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide?
The IUPAC name of 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide (CID 24875320) is 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)=O)c1.
What is the InChIKey of 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide?
The InChIKey is SAAYRHKJHDIDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30).
What are the key properties of 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide?
5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 24875320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).