2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate

C20H24N4O2 — CID 10428091

IUPAC2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate
SMILESCCN(CC)CCOC(=O)c1[nH]c2ccccc2c1Nc1ccncc1
InChIInChI=1S/C20H24N4O2/c1-3-24(4-2)13-14-26-20(25)19-18(22-15-9-11-21-12-10-15)16-7-5-6-8-17(16)23-19/h5-12,23H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyAFNDYDOXMMANFI-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.81
Rot. Bonds8

About 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate

2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate (PubChem CID 10428091) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate
PubChem CID10428091
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate
SMILESCCN(CC)CCOC(=O)c1[nH]c2ccccc2c1Nc1ccncc1
InChIInChI=1S/C20H24N4O2/c1-3-24(4-2)13-14-26-20(25)19-18(22-15-9-11-21-12-10-15)16-7-5-6-8-17(16)23-19/h5-12,23H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyAFNDYDOXMMANFI-UHFFFAOYSA-N
XLogP3.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate (CID 10428091) is 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate is CCN(CC)CCOC(=O)c1[nH]c2ccccc2c1Nc1ccncc1.
What is the InChIKey of 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate?
The InChIKey is AFNDYDOXMMANFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-24(4-2)13-14-26-20(25)19-18(22-15-9-11-21-12-10-15)16-7-5-6-8-17(16)23-19/h5-12,23H,3-4,13-14H2,1-2H3,(H,21,22).
What are the key properties of 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate?
2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate is sourced from PubChem (CID 10428091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).