N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C11H12N4O2 — CID 61004622

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H12N4O2/c1-7-9(6-14-15-7)5-13-11(17)8-2-3-10(16)12-4-8/h2-4,6H,5H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyXIGXYQXDGOGXNV-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.34
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 61004622) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID61004622
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H12N4O2/c1-7-9(6-14-15-7)5-13-11(17)8-2-3-10(16)12-4-8/h2-4,6H,5H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyXIGXYQXDGOGXNV-UHFFFAOYSA-N
XLogP0.34
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 61004622) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1[nH]ncc1CNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XIGXYQXDGOGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-9(6-14-15-7)5-13-11(17)8-2-3-10(16)12-4-8/h2-4,6H,5H2,1H3,(H,12,16)(H,13,17)(H,14,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61004622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).