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

C18H19N3 — CID 710739

IUPAC3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole
SMILESc1ccc([C@@H](c2c[nH]c3ccccc23)N2CCCC2)nc1
InChIInChI=1S/C18H19N3/c1-2-8-16-14(7-1)15(13-20-16)18(21-11-5-6-12-21)17-9-3-4-10-19-17/h1-4,7-10,13,18,20H,5-6,11-12H2/t18-/m1/s1
InChIKeyKMUFNTCIBVGBFX-GOSISDBHSA-N
MW277.37 g/mol
LogP3.75
Rot. Bonds3

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

3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole (PubChem CID 710739) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole
PubChem CID710739
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole
SMILESc1ccc([C@@H](c2c[nH]c3ccccc23)N2CCCC2)nc1
InChIInChI=1S/C18H19N3/c1-2-8-16-14(7-1)15(13-20-16)18(21-11-5-6-12-21)17-9-3-4-10-19-17/h1-4,7-10,13,18,20H,5-6,11-12H2/t18-/m1/s1
InChIKeyKMUFNTCIBVGBFX-GOSISDBHSA-N
XLogP3.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
CID 102365176
4-[1H-indol-3-yl(piperidin-1-yl)methyl]-N,N-dimethylaniline
CID 110453280
1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
CID 5023277
[4-[1H-indol-3-yl(pyrrolidin-1-yl)methyl]phenyl] acetate
CID 110453316
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole
CID 110453205
1-[(2-methylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 5106735
2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
CID 42653100
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
CID 171285012
1-[carboxy(1H-indol-3-yl)methyl]piperidine-3-carboxylic acid
CID 42649452
3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 5182882
3-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 5056524
6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole
CID 110453427

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole (CID 710739) is 3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole is c1ccc([C@@H](c2c[nH]c3ccccc23)N2CCCC2)nc1.
What is the InChIKey of 3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole?
The InChIKey is KMUFNTCIBVGBFX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-8-16-14(7-1)15(13-20-16)18(21-11-5-6-12-21)17-9-3-4-10-19-17/h1-4,7-10,13,18,20H,5-6,11-12H2/t18-/m1/s1.
What are the key properties of 3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole?
3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole has a molecular weight of 277.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 710739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).