3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide

C22H18F2N4O — CID 113028912

IUPAC3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H18F2N4O/c23-18-7-5-14(11-19(18)24)22(29)28-21-8-6-16(13-27-21)25-10-9-15-12-26-20-4-2-1-3-17(15)20/h1-8,11-13,25-26H,9-10H2,(H,27,28,29)
InChIKeyUAIJSNJBCNMROC-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.75
Rot. Bonds6

About 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide

3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide (PubChem CID 113028912) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
PubChem CID113028912
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H18F2N4O/c23-18-7-5-14(11-19(18)24)22(29)28-21-8-6-16(13-27-21)25-10-9-15-12-26-20-4-2-1-3-17(15)20/h1-8,11-13,25-26H,9-10H2,(H,27,28,29)
InChIKeyUAIJSNJBCNMROC-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide
CID 113043194
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728
N-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109237714
1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
CID 113028926
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757
5-[2-(1H-indol-3-yl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109193598
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
6-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyridine-3-carboxamide
CID 109159705
N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide
CID 113013820

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide (CID 113028912) is 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide is O=C(Nc1ccc(NCCc2c[nH]c3ccccc23)cn1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide?
The InChIKey is UAIJSNJBCNMROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c23-18-7-5-14(11-19(18)24)22(29)28-21-8-6-16(13-27-21)25-10-9-15-12-26-20-4-2-1-3-17(15)20/h1-8,11-13,25-26H,9-10H2,(H,27,28,29).
What are the key properties of 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide?
3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide has a molecular weight of 392.41 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113028912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).