5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine

C13H18N2 — CID 158085877

IUPAC5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESc1cc(C[C@@H]2CCNC2)ncc1C1CC1
InChIInChI=1S/C13H18N2/c1-2-11(1)12-3-4-13(15-9-12)7-10-5-6-14-8-10/h3-4,9-11,14H,1-2,5-8H2/t10-/m0/s1
InChIKeyQGYIWCDMBFYMEY-JTQLQIEISA-N
MW202.30 g/mol
LogP2.11
Rot. Bonds3

About 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine

5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine (PubChem CID 158085877) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine
PubChem CID158085877
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESc1cc(C[C@@H]2CCNC2)ncc1C1CC1
InChIInChI=1S/C13H18N2/c1-2-11(1)12-3-4-13(15-9-12)7-10-5-6-14-8-10/h3-4,9-11,14H,1-2,5-8H2/t10-/m0/s1
InChIKeyQGYIWCDMBFYMEY-JTQLQIEISA-N
XLogP2.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
(5-cyclopropyl-2-pyridinyl)methanol
CID 67151090
5-(azetidin-3-yl)-2-ethylpyridine
CID 118486687
3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine
CID 117105313
5-cyclopropyl-2-ethylpyridine;ethane
CID 142548928
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine
CID 83857559
2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
N-[(5-cyclopropyl-2-pyridinyl)methyl]methanimine
CID 175215941

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine (CID 158085877) is 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine is c1cc(C[C@@H]2CCNC2)ncc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is QGYIWCDMBFYMEY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2/c1-2-11(1)12-3-4-13(15-9-12)7-10-5-6-14-8-10/h3-4,9-11,14H,1-2,5-8H2/t10-/m0/s1.
What are the key properties of 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine?
5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 202.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 158085877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).