6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide

C16H22N4O2 — CID 4116151

IUPAC6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cnn(C(C)(C)C)c2)nc1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)20-11-13(10-19-20)14-6-5-12(9-18-14)15(21)17-7-8-22-4/h5-6,9-11H,7-8H2,1-4H3,(H,17,21)
InChIKeyKHAYNUCHVJQBTK-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.08
Rot. Bonds5

About 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide

6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 4116151) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID4116151
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cnn(C(C)(C)C)c2)nc1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)20-11-13(10-19-20)14-6-5-12(9-18-14)15(21)17-7-8-22-4/h5-6,9-11H,7-8H2,1-4H3,(H,17,21)
InChIKeyKHAYNUCHVJQBTK-UHFFFAOYSA-N
XLogP2.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4268648
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 71728692
2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine
CID 166258521
1-tert-butyl-N-[3-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 119429695
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
CID 71448798
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133405545
N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
CID 3590372

Frequently Asked Questions

What is the IUPAC name of 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 4116151) is 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(-c2cnn(C(C)(C)C)c2)nc1.
What is the InChIKey of 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is KHAYNUCHVJQBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)20-11-13(10-19-20)14-6-5-12(9-18-14)15(21)17-7-8-22-4/h5-6,9-11H,7-8H2,1-4H3,(H,17,21).
What are the key properties of 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4116151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).