2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride

C35H37ClN8O3 — CID 160809217

IUPAC2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride
SMILESC[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1.C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1.Cl
InChIInChI=1S/C23H21N5O2.C12H15N3O.ClH/c1-16-7-8-18(30-21-13-17(14-24)9-12-25-21)15-28(16)23(29)20-6-3-2-5-19(20)22-26-10-4-11-27-22;1-9-2-3-11(8-15-9)16-12-6-10(7-13)4-5-14-12;/h2-6,9-13,16,18H,7-8,15H2,1H3;4-6,9,11,15H,2-3,8H2,1H3;1H/t16-,18-;9-,11-;/m11./s1
InChIKeyFLEFYNBGRMWJAE-PWIXIOOISA-N
MW653.19 g/mol
LogP5.38
Rot. Bonds6

About 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride

2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride (PubChem CID 160809217) has the molecular formula C35H37ClN8O3 and a molecular weight of 653.19 g/mol. Its IUPAC name is 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride
PubChem CID160809217
Molecular FormulaC35H37ClN8O3
Molecular Weight653.19 g/mol
Exact Mass652.27
IUPAC Name2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride
SMILESC[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1.C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1.Cl
InChIInChI=1S/C23H21N5O2.C12H15N3O.ClH/c1-16-7-8-18(30-21-13-17(14-24)9-12-25-21)15-28(16)23(29)20-6-3-2-5-19(20)22-26-10-4-11-27-22;1-9-2-3-11(8-15-9)16-12-6-10(7-13)4-5-14-12;/h2-6,9-13,16,18H,7-8,15H2,1H3;4-6,9,11,15H,2-3,8H2,1H3;1H/t16-,18-;9-,11-;/m11./s1
InChIKeyFLEFYNBGRMWJAE-PWIXIOOISA-N
XLogP5.38
TPSA149.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.19
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride (CID 160809217) is 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride is C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1.C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1.Cl.
What is the InChIKey of 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride?
The InChIKey is FLEFYNBGRMWJAE-PWIXIOOISA-N. The full InChI is InChI=1S/C23H21N5O2.C12H15N3O.ClH/c1-16-7-8-18(30-21-13-17(14-24)9-12-25-21)15-28(16)23(29)20-6-3-2-5-19(20)22-26-10-4-11-27-22;1-9-2-3-11(8-15-9)16-12-6-10(7-13)4-5-14-12;/h2-6,9-13,16,18H,7-8,15H2,1H3;4-6,9,11,15H,2-3,8H2,1H3;1H/t16-,18-;9-,11-;/m11./s1.
What are the key properties of 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride?
2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride has a molecular weight of 653.19 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 160809217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).