6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide

C15H20N4O — CID 44556230

IUPAC6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)N[C@@H]3CCNC3)[nH]c2c1
InChIInChI=1S/C15H20N4O/c1-19(2)12-4-3-10-7-14(18-13(10)8-12)15(20)17-11-5-6-16-9-11/h3-4,7-8,11,16,18H,5-6,9H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyYPKPEIIZWZKIGZ-LLVKDONJSA-N
MW272.35 g/mol
LogP1.33
Rot. Bonds3

About 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide

6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 44556230) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID44556230
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)N[C@@H]3CCNC3)[nH]c2c1
InChIInChI=1S/C15H20N4O/c1-19(2)12-4-3-10-7-14(18-13(10)8-12)15(20)17-11-5-6-16-9-11/h3-4,7-8,11,16,18H,5-6,9H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyYPKPEIIZWZKIGZ-LLVKDONJSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 44556230) is 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide is CN(C)c1ccc2cc(C(=O)N[C@@H]3CCNC3)[nH]c2c1.
What is the InChIKey of 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is YPKPEIIZWZKIGZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19(2)12-4-3-10-7-14(18-13(10)8-12)15(20)17-11-5-6-16-9-11/h3-4,7-8,11,16,18H,5-6,9H2,1-2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide?
6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44556230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).