2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile

C16H17BrN6 — CID 171328145

IUPAC2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCN(c1ncc(Br)cn1)C1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C16H17BrN6/c1-22(16-20-10-13(17)11-21-16)14-4-7-23(8-5-14)15-12(9-18)3-2-6-19-15/h2-3,6,10-11,14H,4-5,7-8H2,1H3
InChIKeyALVBPLZJIGAZTQ-UHFFFAOYSA-N
MW373.26 g/mol
LogP2.61
Rot. Bonds3

About 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile

2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 171328145) has the molecular formula C16H17BrN6 and a molecular weight of 373.26 g/mol. Its IUPAC name is 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID171328145
Molecular FormulaC16H17BrN6
Molecular Weight373.26 g/mol
Exact Mass372.07
IUPAC Name2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCN(c1ncc(Br)cn1)C1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C16H17BrN6/c1-22(16-20-10-13(17)11-21-16)14-4-7-23(8-5-14)15-12(9-18)3-2-6-19-15/h2-3,6,10-11,14H,4-5,7-8H2,1H3
InChIKeyALVBPLZJIGAZTQ-UHFFFAOYSA-N
XLogP2.61
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-[3-[methyl(pyrimidin-2-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 171996151
4-bromo-2-[3-[methyl(pyrimidin-2-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 171996152
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129476892
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide
CID 90349842
5-bromo-N-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-2-amine
CID 171328908
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148
2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile
CID 129337104
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 133332499
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile (CID 171328145) is 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile is CN(c1ncc(Br)cn1)C1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ALVBPLZJIGAZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN6/c1-22(16-20-10-13(17)11-21-16)14-4-7-23(8-5-14)15-12(9-18)3-2-6-19-15/h2-3,6,10-11,14H,4-5,7-8H2,1H3.
What are the key properties of 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 373.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171328145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).