(3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide

C21H22N4O2 — CID 92633329

IUPAC(3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)N1CC[C@@H](C(=O)Nc3ccccn3)C1)n2C
InChIInChI=1S/C21H22N4O2/c1-14-6-7-17-16(11-14)12-18(24(17)2)21(27)25-10-8-15(13-25)20(26)23-19-5-3-4-9-22-19/h3-7,9,11-12,15H,8,10,13H2,1-2H3,(H,22,23,26)/t15-/m1/s1
InChIKeyWCSAVQIUDMYJOY-OAHLLOKOSA-N
MW362.43 g/mol
LogP2.98
Rot. Bonds3

About (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide

(3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 92633329) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID92633329
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)N1CC[C@@H](C(=O)Nc3ccccn3)C1)n2C
InChIInChI=1S/C21H22N4O2/c1-14-6-7-17-16(11-14)12-18(24(17)2)21(27)25-10-8-15(13-25)20(26)23-19-5-3-4-9-22-19/h3-7,9,11-12,15H,8,10,13H2,1-2H3,(H,22,23,26)/t15-/m1/s1
InChIKeyWCSAVQIUDMYJOY-OAHLLOKOSA-N
XLogP2.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 92633329) is (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide is Cc1ccc2c(c1)cc(C(=O)N1CC[C@@H](C(=O)Nc3ccccn3)C1)n2C.
What is the InChIKey of (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is WCSAVQIUDMYJOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-6-7-17-16(11-14)12-18(24(17)2)21(27)25-10-8-15(13-25)20(26)23-19-5-3-4-9-22-19/h3-7,9,11-12,15H,8,10,13H2,1-2H3,(H,22,23,26)/t15-/m1/s1.
What are the key properties of (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
(3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92633329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).