3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C13H17N3 — CID 58172476

IUPAC3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC[C@H]1Cc1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3/c1-16-7-3-4-11(16)8-10-9-15-13-12(10)5-2-6-14-13/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyYRAJDQKBFSLBOL-NSHDSACASA-N
MW215.30 g/mol
LogP2.20
Rot. Bonds2

About 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58172476) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58172476
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC[C@H]1Cc1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3/c1-16-7-3-4-11(16)8-10-9-15-13-12(10)5-2-6-14-13/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyYRAJDQKBFSLBOL-NSHDSACASA-N
XLogP2.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine
CID 143921679
1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 54438250
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 66413596
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 166158171
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 66410814
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2-(4-methylpiperazin-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414470
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 106252551
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine
CID 83007539

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58172476) is 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is CN1CCC[C@H]1Cc1c[nH]c2ncccc12.
What is the InChIKey of 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YRAJDQKBFSLBOL-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3/c1-16-7-3-4-11(16)8-10-9-15-13-12(10)5-2-6-14-13/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 215.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58172476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).