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

C22H24N4O — CID 11689049

IUPAC6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)n1
InChIInChI=1S/C22H24N4O/c1-15-5-6-17(14-23)22(24-15)25-19-7-8-21-18(12-19)13-20(27-21)9-11-26-10-3-4-16(26)2/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyZSLMOYVTOZQGFI-MRXNPFEDSA-N
MW360.46 g/mol
LogP4.78
Rot. Bonds5

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

6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile (PubChem CID 11689049) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile
PubChem CID11689049
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)n1
InChIInChI=1S/C22H24N4O/c1-15-5-6-17(14-23)22(24-15)25-19-7-8-21-18(12-19)13-20(27-21)9-11-26-10-3-4-16(26)2/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyZSLMOYVTOZQGFI-MRXNPFEDSA-N
XLogP4.78
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile (CID 11689049) is 6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)n1.
What is the InChIKey of 6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile?
The InChIKey is ZSLMOYVTOZQGFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-5-6-17(14-23)22(24-15)25-19-7-8-21-18(12-19)13-20(27-21)9-11-26-10-3-4-16(26)2/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile?
6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 11689049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).