N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide

C17H24N4O3 — CID 46990045

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)c2ccc(=O)[nH]c2)c1C
InChIInChI=1S/C17H24N4O3/c1-5-21-13(3)15(12(2)19-21)11-20(8-9-24-4)17(23)14-6-7-16(22)18-10-14/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,22)
InChIKeyWLRUBRIWWXIMAW-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.50
Rot. Bonds7

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 46990045) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID46990045
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)c2ccc(=O)[nH]c2)c1C
InChIInChI=1S/C17H24N4O3/c1-5-21-13(3)15(12(2)19-21)11-20(8-9-24-4)17(23)14-6-7-16(22)18-10-14/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,22)
InChIKeyWLRUBRIWWXIMAW-UHFFFAOYSA-N
XLogP1.50
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 46990045) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide is CCn1nc(C)c(CN(CCOC)C(=O)c2ccc(=O)[nH]c2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WLRUBRIWWXIMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-21-13(3)15(12(2)19-21)11-20(8-9-24-4)17(23)14-6-7-16(22)18-10-14/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,22).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46990045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).