3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine

C15H20N4 — CID 99832102

IUPAC3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESC[C@@H]1C[C@@H](c2cccnc2)N(Cc2cncn2C)C1
InChIInChI=1S/C15H20N4/c1-12-6-15(13-4-3-5-16-7-13)19(9-12)10-14-8-17-11-18(14)2/h3-5,7-8,11-12,15H,6,9-10H2,1-2H3/t12-,15+/m1/s1
InChIKeyFZRSGTUXRIHQRT-DOMZBBRYSA-N
MW256.35 g/mol
LogP2.40
Rot. Bonds3

About 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine

3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 99832102) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID99832102
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESC[C@@H]1C[C@@H](c2cccnc2)N(Cc2cncn2C)C1
InChIInChI=1S/C15H20N4/c1-12-6-15(13-4-3-5-16-7-13)19(9-12)10-14-8-17-11-18(14)2/h3-5,7-8,11-12,15H,6,9-10H2,1-2H3/t12-,15+/m1/s1
InChIKeyFZRSGTUXRIHQRT-DOMZBBRYSA-N
XLogP2.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120903406
3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 167990187
3-[(2S,4S)-1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-4-methylpyrrolidin-2-yl]pyridine
CID 99791847
2-methoxy-4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenol
CID 99842894
2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 99788164
(3R,5R)-1-[(3-methylimidazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393579
(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine
CID 102052664
1-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 129415216
3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 11819953
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
(4aS,7aS)-6-[(3-methylimidazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 155877501
3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10420532

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine (CID 99832102) is 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine is C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cncn2C)C1.
What is the InChIKey of 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is FZRSGTUXRIHQRT-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-6-15(13-4-3-5-16-7-13)19(9-12)10-14-8-17-11-18(14)2/h3-5,7-8,11-12,15H,6,9-10H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 99832102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).