N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C16H14FN3O — CID 110731484

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1cccnc1
InChIInChI=1S/C16H14FN3O/c17-13-3-4-15-14(8-13)11(10-20-15)5-7-19-16(21)12-2-1-6-18-9-12/h1-4,6,8-10,20H,5,7H2,(H,19,21)
InChIKeyQUCCRSSDOCRDSP-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 110731484) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID110731484
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1cccnc1
InChIInChI=1S/C16H14FN3O/c17-13-3-4-15-14(8-13)11(10-20-15)5-7-19-16(21)12-2-1-6-18-9-12/h1-4,6,8-10,20H,5,7H2,(H,19,21)
InChIKeyQUCCRSSDOCRDSP-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide
CID 154724354
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
CID 67974203
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[2-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 110995562
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
3-fluoro-N-[2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111972084

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 110731484) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccnc1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is QUCCRSSDOCRDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-3-4-15-14(8-13)11(10-20-15)5-7-19-16(21)12-2-1-6-18-9-12/h1-4,6,8-10,20H,5,7H2,(H,19,21).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110731484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).