2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

C17H19N5O3 — CID 71799026

IUPAC2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCOc1nn(C)cc1C(=O)N1CCC(Oc2ncccc2C#N)CC1
InChIInChI=1S/C17H19N5O3/c1-21-11-14(16(20-21)24-2)17(23)22-8-5-13(6-9-22)25-15-12(10-18)4-3-7-19-15/h3-4,7,11,13H,5-6,8-9H2,1-2H3
InChIKeyPEGNTNOQAPEWCF-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.38
Rot. Bonds4

About 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799026) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799026
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCOc1nn(C)cc1C(=O)N1CCC(Oc2ncccc2C#N)CC1
InChIInChI=1S/C17H19N5O3/c1-21-11-14(16(20-21)24-2)17(23)22-8-5-13(6-9-22)25-15-12(10-18)4-3-7-19-15/h3-4,7,11,13H,5-6,8-9H2,1-2H3
InChIKeyPEGNTNOQAPEWCF-UHFFFAOYSA-N
XLogP1.38
TPSA93.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799026) is 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is COc1nn(C)cc1C(=O)N1CCC(Oc2ncccc2C#N)CC1.
What is the InChIKey of 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is PEGNTNOQAPEWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21-11-14(16(20-21)24-2)17(23)22-8-5-13(6-9-22)25-15-12(10-18)4-3-7-19-15/h3-4,7,11,13H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).