N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide

C21H16F3N3O2 — CID 118463408

IUPACN-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESCc1ccc2c(c1)c(NC(=O)c1ccoc1)cn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H16F3N3O2/c1-13-2-4-18-16(8-13)17(26-20(28)15-6-7-29-12-15)11-27(18)10-14-3-5-19(25-9-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,26,28)
InChIKeyFGSNAYPPLNBTGM-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.26
Rot. Bonds4

About N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide

N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide (PubChem CID 118463408) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide
PubChem CID118463408
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC NameN-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESCc1ccc2c(c1)c(NC(=O)c1ccoc1)cn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H16F3N3O2/c1-13-2-4-18-16(8-13)17(26-20(28)15-6-7-29-12-15)11-27(18)10-14-3-5-19(25-9-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,26,28)
InChIKeyFGSNAYPPLNBTGM-UHFFFAOYSA-N
XLogP5.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide (CID 118463408) is N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide is Cc1ccc2c(c1)c(NC(=O)c1ccoc1)cn2Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide?
The InChIKey is FGSNAYPPLNBTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-13-2-4-18-16(8-13)17(26-20(28)15-6-7-29-12-15)11-27(18)10-14-3-5-19(25-9-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,26,28).
What are the key properties of N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide?
N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide has a molecular weight of 399.37 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118463408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).