N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole

C39H46N6O3 — CID 159741679

IUPACN-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
SMILESCc1cc2cc(NC(=O)c3cc4cc(OCCN5CCCC5)ccc4[nH]3)ccc2[nH]1.Cc1cc2cc(OCCN3CCCC3)ccc2[nH]1
InChIInChI=1S/C24H26N4O2.C15H20N2O/c1-16-12-17-13-19(4-6-21(17)25-16)26-24(29)23-15-18-14-20(5-7-22(18)27-23)30-11-10-28-8-2-3-9-28;1-12-10-13-11-14(4-5-15(13)16-12)18-9-8-17-6-2-3-7-17/h4-7,12-15,25,27H,2-3,8-11H2,1H3,(H,26,29);4-5,10-11,16H,2-3,6-9H2,1H3
InChIKeyNCNPTXIFNUNJFW-UHFFFAOYSA-N
MW646.84 g/mol
LogP7.64
Rot. Bonds10

About N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole

N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole (PubChem CID 159741679) has the molecular formula C39H46N6O3 and a molecular weight of 646.84 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
PubChem CID159741679
Molecular FormulaC39H46N6O3
Molecular Weight646.84 g/mol
Exact Mass646.36
IUPAC NameN-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
SMILESCc1cc2cc(NC(=O)c3cc4cc(OCCN5CCCC5)ccc4[nH]3)ccc2[nH]1.Cc1cc2cc(OCCN3CCCC3)ccc2[nH]1
InChIInChI=1S/C24H26N4O2.C15H20N2O/c1-16-12-17-13-19(4-6-21(17)25-16)26-24(29)23-15-18-14-20(5-7-22(18)27-23)30-11-10-28-8-2-3-9-28;1-12-10-13-11-14(4-5-15(13)16-12)18-9-8-17-6-2-3-7-17/h4-7,12-15,25,27H,2-3,8-11H2,1H3,(H,26,29);4-5,10-11,16H,2-3,6-9H2,1H3
InChIKeyNCNPTXIFNUNJFW-UHFFFAOYSA-N
XLogP7.64
TPSA101.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.84
LogP ≤ 57.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole with MolForge

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Related Compounds

5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
(1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
CID 90683531
1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
CID 90683523
2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate
CID 59303242
5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide
CID 58408911
[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529
methyl (2S)-2-[[5-(2-morpholin-4-ylethoxy)-1H-indole-2-carbonyl]amino]-3-phenylpropanoate
CID 20604417
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 69283271
2,4-dimethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 75375647
5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propyl-1H-indole-2-carboxamide
CID 69282619

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole (CID 159741679) is N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole is Cc1cc2cc(NC(=O)c3cc4cc(OCCN5CCCC5)ccc4[nH]3)ccc2[nH]1.Cc1cc2cc(OCCN3CCCC3)ccc2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole?
The InChIKey is NCNPTXIFNUNJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.C15H20N2O/c1-16-12-17-13-19(4-6-21(17)25-16)26-24(29)23-15-18-14-20(5-7-22(18)27-23)30-11-10-28-8-2-3-9-28;1-12-10-13-11-14(4-5-15(13)16-12)18-9-8-17-6-2-3-7-17/h4-7,12-15,25,27H,2-3,8-11H2,1H3,(H,26,29);4-5,10-11,16H,2-3,6-9H2,1H3.
What are the key properties of N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole?
N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole has a molecular weight of 646.84 g/mol, XLogP of 7.64, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole is sourced from PubChem (CID 159741679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).