1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole

C21H25N3 — CID 167925104

IUPAC1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole
SMILESCn1cc(C2CCN(CCCc3ccncc3)C2)c2ccccc21
InChIInChI=1S/C21H25N3/c1-23-16-20(19-6-2-3-7-21(19)23)18-10-14-24(15-18)13-4-5-17-8-11-22-12-9-17/h2-3,6-9,11-12,16,18H,4-5,10,13-15H2,1H3
InChIKeyCRBUTOLLWUSOLO-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.00
Rot. Bonds5

About 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole

1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole (PubChem CID 167925104) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole.

Molecular Properties

Compound Name1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole
PubChem CID167925104
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole
SMILESCn1cc(C2CCN(CCCc3ccncc3)C2)c2ccccc21
InChIInChI=1S/C21H25N3/c1-23-16-20(19-6-2-3-7-21(19)23)18-10-14-24(15-18)13-4-5-17-8-11-22-12-9-17/h2-3,6-9,11-12,16,18H,4-5,10,13-15H2,1H3
InChIKeyCRBUTOLLWUSOLO-UHFFFAOYSA-N
XLogP4.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
CID 166376440
4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 95871341
5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole
CID 110104616
6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 143507259
N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10280183
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
3-(1-hexylpiperidin-4-yl)indol-1-amine
CID 23215958
ethyl 2-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 59556295
3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 69367148
3-cyclopropyl-1-methylpyrrolo[2,3-c]pyridine;ethane
CID 167522006
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole?
The IUPAC name of 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole (CID 167925104) is 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole.
What is the SMILES notation for 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole?
The canonical SMILES for 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole is Cn1cc(C2CCN(CCCc3ccncc3)C2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole?
The InChIKey is CRBUTOLLWUSOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-23-16-20(19-6-2-3-7-21(19)23)18-10-14-24(15-18)13-4-5-17-8-11-22-12-9-17/h2-3,6-9,11-12,16,18H,4-5,10,13-15H2,1H3.
What are the key properties of 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole?
1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole has a molecular weight of 319.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole is sourced from PubChem (CID 167925104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).