5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide

C24H22N4O2 — CID 109104994

IUPAC5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H22N4O2/c29-23(26-11-10-18-16-27-22-9-5-4-8-21(18)22)19-12-20(15-25-14-19)24(30)28-13-17-6-2-1-3-7-17/h1-9,12,14-16,27H,10-11,13H2,(H,26,29)(H,28,30)
InChIKeyOHZQINDLYFJLKW-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.47
Rot. Bonds7

About 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide

5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 109104994) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
PubChem CID109104994
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H22N4O2/c29-23(26-11-10-18-16-27-22-9-5-4-8-21(18)22)19-12-20(15-25-14-19)24(30)28-13-17-6-2-1-3-7-17/h1-9,12,14-16,27H,10-11,13H2,(H,26,29)(H,28,30)
InChIKeyOHZQINDLYFJLKW-UHFFFAOYSA-N
XLogP3.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109237657
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087316
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228227
5-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227676
N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109237659
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109187851
N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide
CID 167952935
5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide
CID 109237687
6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 103186743

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide (CID 109104994) is 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cncc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is OHZQINDLYFJLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23(26-11-10-18-16-27-22-9-5-4-8-21(18)22)19-12-20(15-25-14-19)24(30)28-13-17-6-2-1-3-7-17/h1-9,12,14-16,27H,10-11,13H2,(H,26,29)(H,28,30).
What are the key properties of 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide?
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).