2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole

C19H21N3 — CID 830462

IUPAC2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole
SMILESCc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCCC1
InChIInChI=1S/C19H21N3/c1-14-18(16-6-2-3-7-17(16)21-14)19(22-12-4-5-13-22)15-8-10-20-11-9-15/h2-3,6-11,19,21H,4-5,12-13H2,1H3/t19-/m1/s1
InChIKeySMJAGZPKNZYDGL-LJQANCHMSA-N
MW291.40 g/mol
LogP4.06
Rot. Bonds3

About 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole

2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole (PubChem CID 830462) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole
PubChem CID830462
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole
SMILESCc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCCC1
InChIInChI=1S/C19H21N3/c1-14-18(16-6-2-3-7-17(16)21-14)19(22-12-4-5-13-22)15-8-10-20-11-9-15/h2-3,6-11,19,21H,4-5,12-13H2,1H3/t19-/m1/s1
InChIKeySMJAGZPKNZYDGL-LJQANCHMSA-N
XLogP4.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole?
The IUPAC name of 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole (CID 830462) is 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole is Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCCC1.
What is the InChIKey of 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole?
The InChIKey is SMJAGZPKNZYDGL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N3/c1-14-18(16-6-2-3-7-17(16)21-14)19(22-12-4-5-13-22)15-8-10-20-11-9-15/h2-3,6-11,19,21H,4-5,12-13H2,1H3/t19-/m1/s1.
What are the key properties of 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole?
2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole has a molecular weight of 291.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 830462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).