6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

C13H16N4O2 — CID 91761019

IUPAC6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCCCn1cc(CNC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C13H16N4O2/c1-2-5-17-9-10(7-16-17)6-15-13(19)11-3-4-12(18)14-8-11/h3-4,7-9H,2,5-6H2,1H3,(H,14,18)(H,15,19)
InChIKeyHLMDIITUCPFEPQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.91
Rot. Bonds5

About 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 91761019) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID91761019
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCCCn1cc(CNC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C13H16N4O2/c1-2-5-17-9-10(7-16-17)6-15-13(19)11-3-4-12(18)14-8-11/h3-4,7-9H,2,5-6H2,1H3,(H,14,18)(H,15,19)
InChIKeyHLMDIITUCPFEPQ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 91761019) is 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is CCCn1cc(CNC(=O)c2ccc(=O)[nH]c2)cn1.
What is the InChIKey of 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is HLMDIITUCPFEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-5-17-9-10(7-16-17)6-15-13(19)11-3-4-12(18)14-8-11/h3-4,7-9H,2,5-6H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91761019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).