N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide

C26H29ClN4O2 — CID 44533346

IUPACN-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide
SMILESCCc1cc2c(cc1OCCN(C)C)N(C(=O)Nc1ccc(-c3ccncc3)c(Cl)c1)CC2
InChIInChI=1S/C26H29ClN4O2/c1-4-18-15-20-9-12-31(24(20)17-25(18)33-14-13-30(2)3)26(32)29-21-5-6-22(23(27)16-21)19-7-10-28-11-8-19/h5-8,10-11,15-17H,4,9,12-14H2,1-3H3,(H,29,32)
InChIKeyFSDLFTRDHVRSJH-UHFFFAOYSA-N
MW465.00 g/mol
LogP5.50
Rot. Bonds7

About N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide

N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide (PubChem CID 44533346) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide
PubChem CID44533346
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC NameN-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide
SMILESCCc1cc2c(cc1OCCN(C)C)N(C(=O)Nc1ccc(-c3ccncc3)c(Cl)c1)CC2
InChIInChI=1S/C26H29ClN4O2/c1-4-18-15-20-9-12-31(24(20)17-25(18)33-14-13-30(2)3)26(32)29-21-5-6-22(23(27)16-21)19-7-10-28-11-8-19/h5-8,10-11,15-17H,4,9,12-14H2,1-3H3,(H,29,32)
InChIKeyFSDLFTRDHVRSJH-UHFFFAOYSA-N
XLogP5.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide (CID 44533346) is N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide is CCc1cc2c(cc1OCCN(C)C)N(C(=O)Nc1ccc(-c3ccncc3)c(Cl)c1)CC2.
What is the InChIKey of N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is FSDLFTRDHVRSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-4-18-15-20-9-12-31(24(20)17-25(18)33-14-13-30(2)3)26(32)29-21-5-6-22(23(27)16-21)19-7-10-28-11-8-19/h5-8,10-11,15-17H,4,9,12-14H2,1-3H3,(H,29,32).
What are the key properties of N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide?
N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 465.00 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridin-4-ylphenyl)-6-[2-(dimethylamino)ethoxy]-5-ethyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 44533346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).