2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile

C22H24N4O — CID 11610190

IUPAC2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3C#N)ccc2o1
InChIInChI=1S/C22H24N4O/c1-16-4-3-10-26(16)11-8-20-13-19-12-17(6-7-21(19)27-20)15-25-22-18(14-23)5-2-9-24-22/h2,5-7,9,12-13,16H,3-4,8,10-11,15H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyDKDMHFQFBVQWPV-MRXNPFEDSA-N
MW360.46 g/mol
LogP4.34
Rot. Bonds6

About 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile

2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 11610190) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile
PubChem CID11610190
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3C#N)ccc2o1
InChIInChI=1S/C22H24N4O/c1-16-4-3-10-26(16)11-8-20-13-19-12-17(6-7-21(19)27-20)15-25-22-18(14-23)5-2-9-24-22/h2,5-7,9,12-13,16H,3-4,8,10-11,15H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyDKDMHFQFBVQWPV-MRXNPFEDSA-N
XLogP4.34
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile (CID 11610190) is 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile is C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3C#N)ccc2o1.
What is the InChIKey of 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is DKDMHFQFBVQWPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-4-3-10-26(16)11-8-20-13-19-12-17(6-7-21(19)27-20)15-25-22-18(14-23)5-2-9-24-22/h2,5-7,9,12-13,16H,3-4,8,10-11,15H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile?
2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 11610190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).