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

C18H21N5O2 — CID 56758268

IUPAC5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1
InChIInChI=1S/C18H21N5O2/c1-3-12-9-20-22-16(12)13-5-4-6-23(10-13)18(25)15-7-14(8-19)17(24)21-11(15)2/h7,9,13H,3-6,10H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyWKXLIAKTHTUMHO-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.86
Rot. Bonds3

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

5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 56758268) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID56758268
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1
InChIInChI=1S/C18H21N5O2/c1-3-12-9-20-22-16(12)13-5-4-6-23(10-13)18(25)15-7-14(8-19)17(24)21-11(15)2/h7,9,13H,3-6,10H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyWKXLIAKTHTUMHO-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

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

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Related Compounds

1-(5-{[4-(4-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]carbonyl}-6-hydroxy-2-methyl-3-pyridinyl)ethanone
CID 56738231
5-{[4-(4-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]carbonyl}-2-hydroxy-6-methylnicotinonitrile
CID 56757298
6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 71926805
1-[2-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]prop-2-en-1-one
CID 168289668
6-{[3-(1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}pyridazin-3(2H)-one
CID 56751744
5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 166280074
5-{4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 29255897
1-(3-cyclohexen-1-ylcarbonyl)-3-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 45243605
6-methyl-1-{3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl}pyridin-2(1H)-one
CID 56740779
3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 56744496
6-{3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl}pyridazin-3(2H)-one
CID 56746693
1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methyl-1-oxopentan-2-one
CID 56747149

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 56758268) is 5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1cn[nH]c1C1CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1.
What is the InChIKey of 5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is WKXLIAKTHTUMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-12-9-20-22-16(12)13-5-4-6-23(10-13)18(25)15-7-14(8-19)17(24)21-11(15)2/h7,9,13H,3-6,10H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 5-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[3-(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-[3-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 56758268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).