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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Related Compounds

5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 132766777
5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 132767161
5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 132766139
5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 132778232
5-[[5-[1-(1H-indol-5-ylmethyl)piperidin-2-yl]pyrazin-2-yl]amino]pyridine-2-carbonitrile
CID 132771847
6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
2-methyl-6-[(2R)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 125016121
6-[(2S)-1-(1H-imidazol-5-ylmethyl)piperidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124979708
2-[(2R)-2-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 95843433
2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 124998938
2-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 110095461
2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 110095459

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).