2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine

C25H29N5 — CID 132534708

IUPAC2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESc1ccc(CN2CCCC2C2CCCN2Cc2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C25H29N5/c1-3-14-26-20(8-1)18-29-16-6-12-24(29)25-13-7-17-30(25)19-21-9-5-11-23(28-21)22-10-2-4-15-27-22/h1-5,8-11,14-15,24-25H,6-7,12-13,16-19H2
InChIKeyBVNHSSHGSCFBJV-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.17
Rot. Bonds6

About 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine

2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine (PubChem CID 132534708) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
PubChem CID132534708
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESc1ccc(CN2CCCC2C2CCCN2Cc2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C25H29N5/c1-3-14-26-20(8-1)18-29-16-6-12-24(29)25-13-7-17-30(25)19-21-9-5-11-23(28-21)22-10-2-4-15-27-22/h1-5,8-11,14-15,24-25H,6-7,12-13,16-19H2
InChIKeyBVNHSSHGSCFBJV-UHFFFAOYSA-N
XLogP4.17
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339030
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
(3aR,6aS)-1-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124804817
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
2-[(2-chlorophenyl)methyl]-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817957
16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 14953575
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
2-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyridine
CID 91653815
4-phenyl-1-(pyridin-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 57445849
(3aS,6aS)-1-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97386430

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine (CID 132534708) is 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine is c1ccc(CN2CCCC2C2CCCN2Cc2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is BVNHSSHGSCFBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-3-14-26-20(8-1)18-29-16-6-12-24(29)25-13-7-17-30(25)19-21-9-5-11-23(28-21)22-10-2-4-15-27-22/h1-5,8-11,14-15,24-25H,6-7,12-13,16-19H2.
What are the key properties of 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine?
2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 399.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 132534708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).