1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide

C17H18N6O2 — CID 108738120

IUPAC1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2c(C#N)cnn2-c2ccccn2)CC1
InChIInChI=1S/C17H18N6O2/c1-12(24)22-8-5-13(6-9-22)17(25)21-16-14(10-18)11-20-23(16)15-4-2-3-7-19-15/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,21,25)
InChIKeyXKHLYZLYYWYGJG-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.34
Rot. Bonds3

About 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide

1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide (PubChem CID 108738120) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
PubChem CID108738120
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2c(C#N)cnn2-c2ccccn2)CC1
InChIInChI=1S/C17H18N6O2/c1-12(24)22-8-5-13(6-9-22)17(25)21-16-14(10-18)11-20-23(16)15-4-2-3-7-19-15/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,21,25)
InChIKeyXKHLYZLYYWYGJG-UHFFFAOYSA-N
XLogP1.34
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108760984
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 108760980
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108761002
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108760932
1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-phenylthiourea
CID 108782402
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 108760966
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108738030

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide (CID 108738120) is 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2c(C#N)cnn2-c2ccccn2)CC1.
What is the InChIKey of 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is XKHLYZLYYWYGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12(24)22-8-5-13(6-9-22)17(25)21-16-14(10-18)11-20-23(16)15-4-2-3-7-19-15/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,21,25).
What are the key properties of 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide?
1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 108738120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).