4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine

C15H20N4 — CID 125016132

IUPAC4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
SMILESc1cc(CC[C@H]2CCCN2Cc2ncc[nH]2)ccn1
InChIInChI=1S/C15H20N4/c1-2-14(4-3-13-5-7-16-8-6-13)19(11-1)12-15-17-9-10-18-15/h5-10,14H,1-4,11-12H2,(H,17,18)/t14-/m1/s1
InChIKeyWYLVITFBMABDTI-CQSZACIVSA-N
MW256.35 g/mol
LogP2.40
Rot. Bonds5

About 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine

4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine (PubChem CID 125016132) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
PubChem CID125016132
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
SMILESc1cc(CC[C@H]2CCCN2Cc2ncc[nH]2)ccn1
InChIInChI=1S/C15H20N4/c1-2-14(4-3-13-5-7-16-8-6-13)19(11-1)12-15-17-9-10-18-15/h5-10,14H,1-4,11-12H2,(H,17,18)/t14-/m1/s1
InChIKeyWYLVITFBMABDTI-CQSZACIVSA-N
XLogP2.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
4-[2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124946744
4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 125024542
4-[2-[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124948812
4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124992720
2-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983003
2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983002
2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
CID 110095085
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine?
The IUPAC name of 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine (CID 125016132) is 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine.
What is the SMILES notation for 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine?
The canonical SMILES for 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine is c1cc(CC[C@H]2CCCN2Cc2ncc[nH]2)ccn1.
What is the InChIKey of 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine?
The InChIKey is WYLVITFBMABDTI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-14(4-3-13-5-7-16-8-6-13)19(11-1)12-15-17-9-10-18-15/h5-10,14H,1-4,11-12H2,(H,17,18)/t14-/m1/s1.
What are the key properties of 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine?
4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine is sourced from PubChem (CID 125016132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).