4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide

C22H20N4O — CID 59555813

IUPAC4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H20N4O/c27-22(26-19-10-12-23-13-11-19)16-5-7-18(8-6-16)24-14-9-17-15-25-21-4-2-1-3-20(17)21/h1-8,10-13,15,24-25H,9,14H2,(H,23,26,27)
InChIKeyGAAKUOXLWZBJKT-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.47
Rot. Bonds6

About 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide

4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide (PubChem CID 59555813) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
PubChem CID59555813
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H20N4O/c27-22(26-19-10-12-23-13-11-19)16-5-7-18(8-6-16)24-14-9-17-15-25-21-4-2-1-3-20(17)21/h1-8,10-13,15,24-25H,9,14H2,(H,23,26,27)
InChIKeyGAAKUOXLWZBJKT-UHFFFAOYSA-N
XLogP4.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109237714
5-[2-(1H-indol-3-yl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237696
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide
CID 113043194
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728
4-[2-(1H-indol-3-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 58615628
3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
CID 113028912
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004
N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217
N-(3,5-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215354
2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109173732

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide (CID 59555813) is 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide?
The InChIKey is GAAKUOXLWZBJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-22(26-19-10-12-23-13-11-19)16-5-7-18(8-6-16)24-14-9-17-15-25-21-4-2-1-3-20(17)21/h1-8,10-13,15,24-25H,9,14H2,(H,23,26,27).
What are the key properties of 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide?
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide has a molecular weight of 356.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 59555813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).