3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

C21H21N5O — CID 119136114

IUPAC3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2ncc(CNCc3ccccc3CN3CCCC3=O)n2c1
InChIInChI=1S/C21H21N5O/c22-10-16-7-8-20-24-13-19(26(20)14-16)12-23-11-17-4-1-2-5-18(17)15-25-9-3-6-21(25)27/h1-2,4-5,7-8,13-14,23H,3,6,9,11-12,15H2
InChIKeySNRLQXBNRLBXBN-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.62
Rot. Bonds6

About 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 119136114) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID119136114
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2ncc(CNCc3ccccc3CN3CCCC3=O)n2c1
InChIInChI=1S/C21H21N5O/c22-10-16-7-8-20-24-13-19(26(20)14-16)12-23-11-17-4-1-2-5-18(17)15-25-9-3-6-21(25)27/h1-2,4-5,7-8,13-14,23H,3,6,9,11-12,15H2
InChIKeySNRLQXBNRLBXBN-UHFFFAOYSA-N
XLogP2.62
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 119136114) is 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is N#Cc1ccc2ncc(CNCc3ccccc3CN3CCCC3=O)n2c1.
What is the InChIKey of 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is SNRLQXBNRLBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-10-16-7-8-20-24-13-19(26(20)14-16)12-23-11-17-4-1-2-5-18(17)15-25-9-3-6-21(25)27/h1-2,4-5,7-8,13-14,23H,3,6,9,11-12,15H2.
What are the key properties of 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 119136114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).