N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide

C13H16N4O2 — CID 47214951

IUPACN-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(CNC(=O)c1ccc[nH]c1=O)Cn1cccn1
InChIInChI=1S/C13H16N4O2/c1-10(9-17-7-3-6-16-17)8-15-13(19)11-4-2-5-14-12(11)18/h2-7,10H,8-9H2,1H3,(H,14,18)(H,15,19)
InChIKeyMSIPGRQAQXWQNR-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.64
Rot. Bonds5

About N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide

N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 47214951) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID47214951
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(CNC(=O)c1ccc[nH]c1=O)Cn1cccn1
InChIInChI=1S/C13H16N4O2/c1-10(9-17-7-3-6-16-17)8-15-13(19)11-4-2-5-14-12(11)18/h2-7,10H,8-9H2,1H3,(H,14,18)(H,15,19)
InChIKeyMSIPGRQAQXWQNR-UHFFFAOYSA-N
XLogP0.64
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide (CID 47214951) is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide is CC(CNC(=O)c1ccc[nH]c1=O)Cn1cccn1.
What is the InChIKey of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MSIPGRQAQXWQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10(9-17-7-3-6-16-17)8-15-13(19)11-4-2-5-14-12(11)18/h2-7,10H,8-9H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47214951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).