2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide

C17H12F3N3O — CID 175388443

IUPAC2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C17H12F3N3O/c1-10(16(21)24)11-2-4-14-12(8-11)6-7-23(14)15-5-3-13(9-22-15)17(18,19)20/h2-9H,1H2,(H2,21,24)
InChIKeyYCQRIFTYYWLECZ-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.54
Rot. Bonds3

About 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide

2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide (PubChem CID 175388443) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide
PubChem CID175388443
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C17H12F3N3O/c1-10(16(21)24)11-2-4-14-12(8-11)6-7-23(14)15-5-3-13(9-22-15)17(18,19)20/h2-9H,1H2,(H2,21,24)
InChIKeyYCQRIFTYYWLECZ-UHFFFAOYSA-N
XLogP3.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide?
The IUPAC name of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide (CID 175388443) is 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide.
What is the SMILES notation for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide?
The canonical SMILES for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide is C=C(C(N)=O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide?
The InChIKey is YCQRIFTYYWLECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c1-10(16(21)24)11-2-4-14-12(8-11)6-7-23(14)15-5-3-13(9-22-15)17(18,19)20/h2-9H,1H2,(H2,21,24).
What are the key properties of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide?
2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide has a molecular weight of 331.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide is sourced from PubChem (CID 175388443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).