5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C18H21N5O2 — CID 56757298

IUPAC5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)CC1
InChIInChI=1S/C18H21N5O2/c1-3-12-10-20-22-16(12)13-4-6-23(7-5-13)18(25)15-8-14(9-19)17(24)21-11(15)2/h8,10,13H,3-7H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyOWZUDGQJGSHMOT-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.86
Rot. Bonds3

About 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 56757298) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID56757298
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)CC1
InChIInChI=1S/C18H21N5O2/c1-3-12-10-20-22-16(12)13-4-6-23(7-5-13)18(25)15-8-14(9-19)17(24)21-11(15)2/h8,10,13H,3-7H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyOWZUDGQJGSHMOT-UHFFFAOYSA-N
XLogP1.86
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 56757298) is 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1cn[nH]c1C1CCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)CC1.
What is the InChIKey of 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is OWZUDGQJGSHMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-12-10-20-22-16(12)13-4-6-23(7-5-13)18(25)15-8-14(9-19)17(24)21-11(15)2/h8,10,13H,3-7H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 56757298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).