(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine

C23H25N3 — CID 102052664

IUPAC(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine
SMILESc1ccc(CNC2C[C@H](c3cccnc3)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H25N3/c1-3-8-19(9-4-1)15-25-22-14-23(21-12-7-13-24-16-21)26(18-22)17-20-10-5-2-6-11-20/h1-13,16,22-23,25H,14-15,17-18H2/t22?,23-/m1/s1
InChIKeyCYJGLAXEZWNERS-OZAIVSQSSA-N
MW343.47 g/mol
LogP4.19
Rot. Bonds6

About (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine

(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine (PubChem CID 102052664) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine
PubChem CID102052664
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine
SMILESc1ccc(CNC2C[C@H](c3cccnc3)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H25N3/c1-3-8-19(9-4-1)15-25-22-14-23(21-12-7-13-24-16-21)26(18-22)17-20-10-5-2-6-11-20/h1-13,16,22-23,25H,14-15,17-18H2/t22?,23-/m1/s1
InChIKeyCYJGLAXEZWNERS-OZAIVSQSSA-N
XLogP4.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine
CID 155208156
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
(2S,4S)-1-[(4-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 45247023
(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 134808798
2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 99788164
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 99832102
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078

Frequently Asked Questions

What is the IUPAC name of (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine?
The IUPAC name of (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine (CID 102052664) is (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine.
What is the SMILES notation for (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine?
The canonical SMILES for (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine is c1ccc(CNC2C[C@H](c3cccnc3)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine?
The InChIKey is CYJGLAXEZWNERS-OZAIVSQSSA-N. The full InChI is InChI=1S/C23H25N3/c1-3-8-19(9-4-1)15-25-22-14-23(21-12-7-13-24-16-21)26(18-22)17-20-10-5-2-6-11-20/h1-13,16,22-23,25H,14-15,17-18H2/t22?,23-/m1/s1.
What are the key properties of (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine?
(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine has a molecular weight of 343.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine is sourced from PubChem (CID 102052664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).