6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide

C21H30N4O3 — CID 97121655

IUPAC6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(n1C)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2
InChIInChI=1S/C21H30N4O3/c1-22(2)21(28)17-10-14-8-9-24(13-18(14)23(17)3)20(27)15-11-19(26)25(12-15)16-6-4-5-7-16/h10,15-16H,4-9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyKWMSEYPJYADWIM-OAHLLOKOSA-N
MW386.50 g/mol
LogP1.40
Rot. Bonds3

About 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide

6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 97121655) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID97121655
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(n1C)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2
InChIInChI=1S/C21H30N4O3/c1-22(2)21(28)17-10-14-8-9-24(13-18(14)23(17)3)20(27)15-11-19(26)25(12-15)16-6-4-5-7-16/h10,15-16H,4-9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyKWMSEYPJYADWIM-OAHLLOKOSA-N
XLogP1.40
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 97121655) is 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)c1cc2c(n1C)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2.
What is the InChIKey of 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KWMSEYPJYADWIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-22(2)21(28)17-10-14-8-9-24(13-18(14)23(17)3)20(27)15-11-19(26)25(12-15)16-6-4-5-7-16/h10,15-16H,4-9,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97121655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).