6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile

C18H20N4 — CID 133304440

IUPAC6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCC2CCCN2Cc2ccccc2)n1
InChIInChI=1S/C18H20N4/c19-12-16-8-4-10-18(21-16)20-13-17-9-5-11-22(17)14-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2,(H,20,21)
InChIKeyKBCYDEAYNSPILO-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.03
Rot. Bonds5

About 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile

6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 133304440) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile
PubChem CID133304440
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCC2CCCN2Cc2ccccc2)n1
InChIInChI=1S/C18H20N4/c19-12-16-8-4-10-18(21-16)20-13-17-9-5-11-22(17)14-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2,(H,20,21)
InChIKeyKBCYDEAYNSPILO-UHFFFAOYSA-N
XLogP3.03
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 133392311
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
4-acetyl-2-[(1-benzylpyrrolidin-2-yl)methylamino]benzonitrile
CID 133458156
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299300
5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122047934
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(3-cyanophenyl)methyl]-2-methylguanidine
CID 111583546
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111337607
N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133274813

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile (CID 133304440) is 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile is N#Cc1cccc(NCC2CCCN2Cc2ccccc2)n1.
What is the InChIKey of 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is KBCYDEAYNSPILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c19-12-16-8-4-10-18(21-16)20-13-17-9-5-11-22(17)14-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2,(H,20,21).
What are the key properties of 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile?
6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133304440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).