N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide

C17H24N3O2+ — CID 7646480

IUPACN-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCC[NH+]1CCC[C@H]1CNC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-3-20-9-5-6-12(20)11-18-17(21)15-10-13-14(19-15)7-4-8-16(13)22-2/h4,7-8,10,12,19H,3,5-6,9,11H2,1-2H3,(H,18,21)/p+1/t12-/m0/s1
InChIKeyMGXVRMRZCPNQBN-LBPRGKRZSA-O
MW302.40 g/mol
LogP0.97
Rot. Bonds5

About N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide

N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 7646480) has the molecular formula C17H24N3O2+ and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID7646480
Molecular FormulaC17H24N3O2+
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCC[NH+]1CCC[C@H]1CNC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-3-20-9-5-6-12(20)11-18-17(21)15-10-13-14(19-15)7-4-8-16(13)22-2/h4,7-8,10,12,19H,3,5-6,9,11H2,1-2H3,(H,18,21)/p+1/t12-/m0/s1
InChIKeyMGXVRMRZCPNQBN-LBPRGKRZSA-O
XLogP0.97
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-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

4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
5-bromo-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-methyl-1H-indole-2-carboxamide
CID 7693934
4-methoxy-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 4910202
N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide
CID 175458153
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
N-[(2S)-1-cyclopropyl-3-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167238193
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 124861217
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 110208093
ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane
CID 164544338
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide (CID 7646480) is N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide is CC[NH+]1CCC[C@H]1CNC(=O)c1cc2c(OC)cccc2[nH]1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is MGXVRMRZCPNQBN-LBPRGKRZSA-O. The full InChI is InChI=1S/C17H23N3O2/c1-3-20-9-5-6-12(20)11-18-17(21)15-10-13-14(19-15)7-4-8-16(13)22-2/h4,7-8,10,12,19H,3,5-6,9,11H2,1-2H3,(H,18,21)/p+1/t12-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 7646480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).