N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide

C16H20N4O2 — CID 127488813

IUPACN-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCn1nc(C2CCCCC2)cc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H20N4O2/c1-20-14(10-13(19-20)11-6-3-2-4-7-11)18-16(22)12-8-5-9-17-15(12)21/h5,8-11H,2-4,6-7H2,1H3,(H,17,21)(H,18,22)
InChIKeyQVWZUTGGSWIQLH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.41
Rot. Bonds3

About N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide

N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 127488813) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID127488813
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCn1nc(C2CCCCC2)cc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H20N4O2/c1-20-14(10-13(19-20)11-6-3-2-4-7-11)18-16(22)12-8-5-9-17-15(12)21/h5,8-11H,2-4,6-7H2,1H3,(H,17,21)(H,18,22)
InChIKeyQVWZUTGGSWIQLH-UHFFFAOYSA-N
XLogP2.41
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide (CID 127488813) is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide is Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QVWZUTGGSWIQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20-14(10-13(19-20)11-6-3-2-4-7-11)18-16(22)12-8-5-9-17-15(12)21/h5,8-11H,2-4,6-7H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide?
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 127488813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).