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

C24H22N4O2 — CID 109088496

IUPAC2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1ccnc(C(=O)NCCc2c[nH]c3ccccc23)c1)c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-28(19-7-3-2-4-8-19)24(30)17-11-13-25-22(15-17)23(29)26-14-12-18-16-27-21-10-6-5-9-20(18)21/h2-11,13,15-16,27H,12,14H2,1H3,(H,26,29)
InChIKeyIGVYNWHUYYVKDA-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.81
Rot. Bonds6

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

2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109088496) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109088496
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1ccnc(C(=O)NCCc2c[nH]c3ccccc23)c1)c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-28(19-7-3-2-4-8-19)24(30)17-11-13-25-22(15-17)23(29)26-14-12-18-16-27-21-10-6-5-9-20(18)21/h2-11,13,15-16,27H,12,14H2,1H3,(H,26,29)
InChIKeyIGVYNWHUYYVKDA-UHFFFAOYSA-N
XLogP3.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
4-N-methyl-4-N-phenyl-2-N-propylpyridine-2,4-dicarboxamide
CID 109077905
2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088075
6-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyridine-3-carboxamide
CID 109159705
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109309599
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087316
4-(tert-butylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215296
N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285636
4-[[(2R)-2-hydroxypropyl]amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 95556692
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109215319

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide (CID 109088496) is 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide is CN(C(=O)c1ccnc(C(=O)NCCc2c[nH]c3ccccc23)c1)c1ccccc1.
What is the InChIKey of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is IGVYNWHUYYVKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-28(19-7-3-2-4-8-19)24(30)17-11-13-25-22(15-17)23(29)26-14-12-18-16-27-21-10-6-5-9-20(18)21/h2-11,13,15-16,27H,12,14H2,1H3,(H,26,29).
What are the key properties of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 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-methyl-4-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).