6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile

C22H24N4O — CID 11501382

IUPAC6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(C#N)cn3)ccc2o1
InChIInChI=1S/C22H24N4O/c1-16-3-2-9-26(16)10-8-20-12-19-11-17(4-6-21(19)27-20)14-24-22-7-5-18(13-23)15-25-22/h4-7,11-12,15-16H,2-3,8-10,14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyVHWGUEHVTQVOCK-MRXNPFEDSA-N
MW360.46 g/mol
LogP4.34
Rot. Bonds6

About 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile

6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 11501382) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile
PubChem CID11501382
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(C#N)cn3)ccc2o1
InChIInChI=1S/C22H24N4O/c1-16-3-2-9-26(16)10-8-20-12-19-11-17(4-6-21(19)27-20)14-24-22-7-5-18(13-23)15-25-22/h4-7,11-12,15-16H,2-3,8-10,14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyVHWGUEHVTQVOCK-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 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 11315033
3-(2,3-Dihydro-benzofuran-5-yl)-2-pyridin-2-yl-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11280474
4-(1-Benzofuran-5-yl)pyridin-2-amine
CID 155920136
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-amine
CID 11163942
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrazin-2-yl-amine
CID 11522882
4-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amino)-pyridine-2,6-dicarbonitrile
CID 11531115
(3,5-Dinitro-pyridin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amine
CID 11539128
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyrimidin-2-yl-amine
CID 11544316
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-5-yl-amine
CID 11551775
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-(5-trifluoromethyl-pyridin-2-yl)-amine
CID 11574624
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-(3-nitro-pyridin-2-yl)-amine
CID 11588992

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile (CID 11501382) is 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile is C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(C#N)cn3)ccc2o1.
What is the InChIKey of 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is VHWGUEHVTQVOCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-3-2-9-26(16)10-8-20-12-19-11-17(4-6-21(19)27-20)14-24-22-7-5-18(13-23)15-25-22/h4-7,11-12,15-16H,2-3,8-10,14H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile?
6-[[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 6-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 11501382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).