2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide

C22H26N4O2 — CID 109088487

IUPAC2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H26N4O2/c1-2-3-6-11-24-21(27)16-9-12-23-20(14-16)22(28)25-13-10-17-15-26-19-8-5-4-7-18(17)19/h4-5,7-9,12,14-15,26H,2-3,6,10-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyNHUILXPWQFICEC-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.46
Rot. Bonds9

About 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide

2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109088487) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109088487
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H26N4O2/c1-2-3-6-11-24-21(27)16-9-12-23-20(14-16)22(28)25-13-10-17-15-26-19-8-5-4-7-18(17)19/h4-5,7-9,12,14-15,26H,2-3,6,10-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyNHUILXPWQFICEC-UHFFFAOYSA-N
XLogP3.46
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087316
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088496
4-(tert-butylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215296
5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide
CID 109237687
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
4-[[(2R)-2-hydroxypropyl]amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 95556692
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
2-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109166332

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide (CID 109088487) is 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1ccnc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is NHUILXPWQFICEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-3-6-11-24-21(27)16-9-12-23-20(14-16)22(28)25-13-10-17-15-26-19-8-5-4-7-18(17)19/h4-5,7-9,12,14-15,26H,2-3,6,10-11,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide?
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).