6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C22H18F2N4O — CID 109159765

IUPAC6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C22H18F2N4O/c23-16-6-7-20(18(24)11-16)28-21-8-5-15(13-27-21)22(29)25-10-9-14-12-26-19-4-2-1-3-17(14)19/h1-8,11-13,26H,9-10H2,(H,25,29)(H,27,28)
InChIKeyYSDGXYYRTYYDRO-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.56
Rot. Bonds6

About 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 109159765) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID109159765
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C22H18F2N4O/c23-16-6-7-20(18(24)11-16)28-21-8-5-15(13-27-21)22(29)25-10-9-14-12-26-19-4-2-1-3-17(14)19/h1-8,11-13,26H,9-10H2,(H,25,29)(H,27,28)
InChIKeyYSDGXYYRTYYDRO-UHFFFAOYSA-N
XLogP4.56
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159767
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437
2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 109159765) is 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is YSDGXYYRTYYDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c23-16-6-7-20(18(24)11-16)28-21-8-5-15(13-27-21)22(29)25-10-9-14-12-26-19-4-2-1-3-17(14)19/h1-8,11-13,26H,9-10H2,(H,25,29)(H,27,28).
What are the key properties of 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109159765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).