N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide

C18H25N3O2 — CID 95160462

IUPACN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCOCCN1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C18H25N3O2/c1-13-3-4-15-10-17(20-16(15)9-13)18(22)19-11-14-5-6-21(12-14)7-8-23-2/h3-4,9-10,14,20H,5-8,11-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyOAWMCWGCNFDQOY-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.17
Rot. Bonds6

About N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide

N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 95160462) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID95160462
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCOCCN1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C18H25N3O2/c1-13-3-4-15-10-17(20-16(15)9-13)18(22)19-11-14-5-6-21(12-14)7-8-23-2/h3-4,9-10,14,20H,5-8,11-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyOAWMCWGCNFDQOY-AWEZNQCLSA-N
XLogP2.17
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-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-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 94020775
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171385232
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
CID 56823834
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931178
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879932
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
5-hydroxy-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 118782526

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide (CID 95160462) is N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide is COCCN1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1.
What is the InChIKey of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is OAWMCWGCNFDQOY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-3-4-15-10-17(20-16(15)9-13)18(22)19-11-14-5-6-21(12-14)7-8-23-2/h3-4,9-10,14,20H,5-8,11-12H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 95160462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).