3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine

C13H17N3 — CID 163261196

IUPAC3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine
SMILESC1=NC(c2cncc(C3CCCN3)c2)CC1
InChIInChI=1S/C13H17N3/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h5,7-9,12-13,16H,1-4,6H2
InChIKeyASBXFCWVSQQWOY-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.41
Rot. Bonds2

About 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine

3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine (PubChem CID 163261196) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine
PubChem CID163261196
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine
SMILESC1=NC(c2cncc(C3CCCN3)c2)CC1
InChIInChI=1S/C13H17N3/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h5,7-9,12-13,16H,1-4,6H2
InChIKeyASBXFCWVSQQWOY-UHFFFAOYSA-N
XLogP2.41
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine
CID 163261195
5-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55276544
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
CID 124671778
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
CID 122198515
3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]prop-2-ynoic acid
CID 131871135
3-[(2S)-piperidin-2-yl]-5-(trifluoromethyl)pyridine
CID 131397807
methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
CID 131276889

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine (CID 163261196) is 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine is C1=NC(c2cncc(C3CCCN3)c2)CC1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine?
The InChIKey is ASBXFCWVSQQWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h5,7-9,12-13,16H,1-4,6H2.
What are the key properties of 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine?
3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine has a molecular weight of 215.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 163261196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).