5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile

C23H26N6O2 — CID 132766506

IUPAC5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCOCc1ccc(CN2CCCCC2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)o1
InChIInChI=1S/C23H26N6O2/c1-16-26-21(11-23(27-16)28-18-7-6-17(12-24)25-13-18)22-5-3-4-10-29(22)14-19-8-9-20(31-19)15-30-2/h6-9,11,13,22H,3-5,10,14-15H2,1-2H3,(H,26,27,28)
InChIKeyMVBCEXMULKKKHP-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.26
Rot. Bonds7

About 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile

5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile (PubChem CID 132766506) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
PubChem CID132766506
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCOCc1ccc(CN2CCCCC2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)o1
InChIInChI=1S/C23H26N6O2/c1-16-26-21(11-23(27-16)28-18-7-6-17(12-24)25-13-18)22-5-3-4-10-29(22)14-19-8-9-20(31-19)15-30-2/h6-9,11,13,22H,3-5,10,14-15H2,1-2H3,(H,26,27,28)
InChIKeyMVBCEXMULKKKHP-UHFFFAOYSA-N
XLogP4.26
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile (CID 132766506) is 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile is COCc1ccc(CN2CCCCC2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)o1.
What is the InChIKey of 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The InChIKey is MVBCEXMULKKKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16-26-21(11-23(27-16)28-18-7-6-17(12-24)25-13-18)22-5-3-4-10-29(22)14-19-8-9-20(31-19)15-30-2/h6-9,11,13,22H,3-5,10,14-15H2,1-2H3,(H,26,27,28).
What are the key properties of 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile has a molecular weight of 418.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 132766506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).