N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C15H20N4O3 — CID 48506713

IUPACN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)c2ccc[nH]c2=O)c1C
InChIInChI=1S/C15H20N4O3/c1-10-13(11(2)19(18-10)7-8-22-3)9-17-15(21)12-5-4-6-16-14(12)20/h4-6H,7-9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyJGVUIRORGRRTDB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.76
Rot. Bonds6

About N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 48506713) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID48506713
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)c2ccc[nH]c2=O)c1C
InChIInChI=1S/C15H20N4O3/c1-10-13(11(2)19(18-10)7-8-22-3)9-17-15(21)12-5-4-6-16-14(12)20/h4-6H,7-9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyJGVUIRORGRRTDB-UHFFFAOYSA-N
XLogP0.76
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 48506713) is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is COCCn1nc(C)c(CNC(=O)c2ccc[nH]c2=O)c1C.
What is the InChIKey of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JGVUIRORGRRTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-13(11(2)19(18-10)7-8-22-3)9-17-15(21)12-5-4-6-16-14(12)20/h4-6H,7-9H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 48506713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).