5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide

C16H20ClN3O — CID 162488436

IUPAC5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@@H]2CCCN2)c2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3O/c1-19(2)16(21)14-10-20(9-12-4-3-7-18-12)15-6-5-11(17)8-13(14)15/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyVXOUHUYXNZBHHK-LBPRGKRZSA-N
MW305.81 g/mol
LogP2.75
Rot. Bonds3

About 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide

5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide (PubChem CID 162488436) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide
PubChem CID162488436
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@@H]2CCCN2)c2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3O/c1-19(2)16(21)14-10-20(9-12-4-3-7-18-12)15-6-5-11(17)8-13(14)15/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyVXOUHUYXNZBHHK-LBPRGKRZSA-N
XLogP2.75
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide?
The IUPAC name of 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide (CID 162488436) is 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide.
What is the SMILES notation for 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide?
The canonical SMILES for 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide is CN(C)C(=O)c1cn(C[C@@H]2CCCN2)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide?
The InChIKey is VXOUHUYXNZBHHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-19(2)16(21)14-10-20(9-12-4-3-7-18-12)15-6-5-11(17)8-13(14)15/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide?
5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide is sourced from PubChem (CID 162488436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).