2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile

C17H19N5O — CID 97063214

IUPAC2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOCc1nccc([C@@H]2CCCN(c3ncccc3C#N)C2)n1
InChIInChI=1S/C17H19N5O/c1-23-12-16-19-8-6-15(21-16)14-5-3-9-22(11-14)17-13(10-18)4-2-7-20-17/h2,4,6-8,14H,3,5,9,11-12H2,1H3/t14-/m1/s1
InChIKeyVXVJOSAAKVLZEX-CQSZACIVSA-N
MW309.37 g/mol
LogP2.27
Rot. Bonds4

About 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile

2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 97063214) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID97063214
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOCc1nccc([C@@H]2CCCN(c3ncccc3C#N)C2)n1
InChIInChI=1S/C17H19N5O/c1-23-12-16-19-8-6-15(21-16)14-5-3-9-22(11-14)17-13(10-18)4-2-7-20-17/h2,4,6-8,14H,3,5,9,11-12H2,1H3/t14-/m1/s1
InChIKeyVXVJOSAAKVLZEX-CQSZACIVSA-N
XLogP2.27
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063222
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891333
2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95882703
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98798335
2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129476892
2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 47079116
4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891342
2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 154774777
2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 171704830

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 97063214) is 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile is COCc1nccc([C@@H]2CCCN(c3ncccc3C#N)C2)n1.
What is the InChIKey of 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VXVJOSAAKVLZEX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-12-16-19-8-6-15(21-16)14-5-3-9-22(11-14)17-13(10-18)4-2-7-20-17/h2,4,6-8,14H,3,5,9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile?
2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97063214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).