6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile

C18H21FN6 — CID 166604738

IUPAC6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(NCC2(F)CCN(c3ccc(C#N)cn3)CC2)nc(C)n1
InChIInChI=1S/C18H21FN6/c1-13-9-16(24-14(2)23-13)22-12-18(19)5-7-25(8-6-18)17-4-3-15(10-20)11-21-17/h3-4,9,11H,5-8,12H2,1-2H3,(H,22,23,24)
InChIKeyBPMWLLVVSXUFIE-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.78
Rot. Bonds4

About 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile

6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 166604738) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile
PubChem CID166604738
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC Name6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(NCC2(F)CCN(c3ccc(C#N)cn3)CC2)nc(C)n1
InChIInChI=1S/C18H21FN6/c1-13-9-16(24-14(2)23-13)22-12-18(19)5-7-25(8-6-18)17-4-3-15(10-20)11-21-17/h3-4,9,11H,5-8,12H2,1-2H3,(H,22,23,24)
InChIKeyBPMWLLVVSXUFIE-UHFFFAOYSA-N
XLogP2.78
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 175649654
N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 175649256
N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 166604813
N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 171323725
N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 175649458
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 126875911
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 35919031
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 172630694
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile (CID 166604738) is 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile is Cc1cc(NCC2(F)CCN(c3ccc(C#N)cn3)CC2)nc(C)n1.
What is the InChIKey of 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is BPMWLLVVSXUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6/c1-13-9-16(24-14(2)23-13)22-12-18(19)5-7-25(8-6-18)17-4-3-15(10-20)11-21-17/h3-4,9,11H,5-8,12H2,1-2H3,(H,22,23,24).
What are the key properties of 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 340.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166604738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).