6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile

C17H19N5O — CID 97063222

IUPAC6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOCc1nccc([C@@H]2CCCN(c3ccc(C#N)cn3)C2)n1
InChIInChI=1S/C17H19N5O/c1-23-12-16-19-7-6-15(21-16)14-3-2-8-22(11-14)17-5-4-13(9-18)10-20-17/h4-7,10,14H,2-3,8,11-12H2,1H3/t14-/m1/s1
InChIKeyDXBQLTXSLIKBDK-CQSZACIVSA-N
MW309.37 g/mol
LogP2.27
Rot. Bonds4

About 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile

6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 97063222) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID97063222
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOCc1nccc([C@@H]2CCCN(c3ccc(C#N)cn3)C2)n1
InChIInChI=1S/C17H19N5O/c1-23-12-16-19-7-6-15(21-16)14-3-2-8-22(11-14)17-5-4-13(9-18)10-20-17/h4-7,10,14H,2-3,8,11-12H2,1H3/t14-/m1/s1
InChIKeyDXBQLTXSLIKBDK-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

2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063214
6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95223920
4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891333
4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261
6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 124841776
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98798335
4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891342
4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 97063194
5-chloro-4-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]thiadiazole
CID 71891331

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 97063222) is 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile is COCc1nccc([C@@H]2CCCN(c3ccc(C#N)cn3)C2)n1.
What is the InChIKey of 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DXBQLTXSLIKBDK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-12-16-19-7-6-15(21-16)14-3-2-8-22(11-14)17-5-4-13(9-18)10-20-17/h4-7,10,14H,2-3,8,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile?
6-[(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 6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97063222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).