N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide

C22H25N5O2 — CID 70215082

IUPACN-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cccc(Oc3ccccc3CN3CCCC3)c2[nH]1
InChIInChI=1S/C22H25N5O2/c1-24-22(23)26-21(28)17-13-15-8-6-10-19(20(15)25-17)29-18-9-3-2-7-16(18)14-27-11-4-5-12-27/h2-3,6-10,13,25H,4-5,11-12,14H2,1H3,(H3,23,24,26,28)
InChIKeyDKGXHCVAOJDHKL-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.23
Rot. Bonds5

About N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide

N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide (PubChem CID 70215082) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide
PubChem CID70215082
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cccc(Oc3ccccc3CN3CCCC3)c2[nH]1
InChIInChI=1S/C22H25N5O2/c1-24-22(23)26-21(28)17-13-15-8-6-10-19(20(15)25-17)29-18-9-3-2-7-16(18)14-27-11-4-5-12-27/h2-3,6-10,13,25H,4-5,11-12,14H2,1H3,(H3,23,24,26,28)
InChIKeyDKGXHCVAOJDHKL-UHFFFAOYSA-N
XLogP3.23
TPSA95.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(N'-methylcarbamimidoyl)-7-[4-(piperidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide
CID 70214887
N-(N'-methylcarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]oxy-1H-indole-2-carboxamide
CID 139697399
N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-4-(trifluoromethyl)-1H-indole-2-carboxamide
CID 70215032
7-[3-(diethylamino)propoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-indole-2-carboxamide
CID 161322387
7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213833
7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216865
7-[4-(aminomethyl)phenoxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213649
7-(3-aminophenoxy)-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70214864
ethyl 1-methyl-7-(2-phenylethylamino)indole-2-carboxylate;N-(N'-methylcarbamimidoyl)-7-(2-phenylethylamino)-1H-indole-2-carboxamide
CID 158118455
[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate
CID 11043577
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186
5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70214938

Frequently Asked Questions

What is the IUPAC name of N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide?
The IUPAC name of N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide (CID 70215082) is N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide.
What is the SMILES notation for N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide?
The canonical SMILES for N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide is C/N=C(\N)NC(=O)c1cc2cccc(Oc3ccccc3CN3CCCC3)c2[nH]1.
What is the InChIKey of N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide?
The InChIKey is DKGXHCVAOJDHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-24-22(23)26-21(28)17-13-15-8-6-10-19(20(15)25-17)29-18-9-3-2-7-16(18)14-27-11-4-5-12-27/h2-3,6-10,13,25H,4-5,11-12,14H2,1H3,(H3,23,24,26,28).
What are the key properties of N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide?
N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide is sourced from PubChem (CID 70215082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).