2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide

C16H12FN3O — CID 175373743

IUPAC2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc2c(ccn2-c2cncc(F)c2)c1
InChIInChI=1S/C16H12FN3O/c1-10(16(18)21)11-2-3-15-12(6-11)4-5-20(15)14-7-13(17)8-19-9-14/h2-9H,1H2,(H2,18,21)
InChIKeyGUMFXJCCULKNGK-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.66
Rot. Bonds3

About 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide

2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide (PubChem CID 175373743) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide
PubChem CID175373743
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc2c(ccn2-c2cncc(F)c2)c1
InChIInChI=1S/C16H12FN3O/c1-10(16(18)21)11-2-3-15-12(6-11)4-5-20(15)14-7-13(17)8-19-9-14/h2-9H,1H2,(H2,18,21)
InChIKeyGUMFXJCCULKNGK-UHFFFAOYSA-N
XLogP2.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide
CID 175388443
4-(5-fluoroindol-1-yl)benzoic acid
CID 56689281
1-(4-carbamoylphenyl)indole-5-carboxylic acid
CID 59626065
[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
CID 134096101
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-5-yl]prop-2-enamide
CID 175883493
1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide
CID 174703366
1-(5-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167016068
2-[1-[(3-iodophenyl)methyl]indol-5-yl]prop-2-enamide
CID 175883494
3-(5-fluoroindol-1-yl)benzoic acid
CID 18385061
N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide
CID 156881349
2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide
CID 174372485
(3S)-3-cyclohexyl-4-[(2S)-2-[5-(5-fluoroindol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-methyl-2-(methylamino)-4-oxobutanamide
CID 140560194

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide?
The IUPAC name of 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide (CID 175373743) is 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide.
What is the SMILES notation for 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide?
The canonical SMILES for 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide is C=C(C(N)=O)c1ccc2c(ccn2-c2cncc(F)c2)c1.
What is the InChIKey of 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide?
The InChIKey is GUMFXJCCULKNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-10(16(18)21)11-2-3-15-12(6-11)4-5-20(15)14-7-13(17)8-19-9-14/h2-9H,1H2,(H2,18,21).
What are the key properties of 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide?
2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide has a molecular weight of 281.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide is sourced from PubChem (CID 175373743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).