N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide

C16H22N4O2 — CID 46985123

IUPACN-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide
SMILESCCC(CC)n1ncc(C)c1NC(=O)COc1cccnc1
InChIInChI=1S/C16H22N4O2/c1-4-13(5-2)20-16(12(3)9-18-20)19-15(21)11-22-14-7-6-8-17-10-14/h6-10,13H,4-5,11H2,1-3H3,(H,19,21)
InChIKeyNKSHBXTWRAXGOJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.97
Rot. Bonds7

About N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide

N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide (PubChem CID 46985123) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide
PubChem CID46985123
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide
SMILESCCC(CC)n1ncc(C)c1NC(=O)COc1cccnc1
InChIInChI=1S/C16H22N4O2/c1-4-13(5-2)20-16(12(3)9-18-20)19-15(21)11-22-14-7-6-8-17-10-14/h6-10,13H,4-5,11H2,1-3H3,(H,19,21)
InChIKeyNKSHBXTWRAXGOJ-UHFFFAOYSA-N
XLogP2.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea
CID 118763854
N-(2-ethylphenyl)-2-pyridin-3-yloxyacetamide
CID 38114602
N-pyridin-4-yl-2-pyridin-3-yloxyacetamide
CID 110487864
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
N-pyridin-2-yl-2-pyridin-3-yloxyacetamide
CID 110487862
N-(4-acetylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487947
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
N-(2-hydroxy-5-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487929
N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110862951
2-pyridin-3-yloxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110487966
N-[(1-ethylindazol-3-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 135092372
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide (CID 46985123) is N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide is CCC(CC)n1ncc(C)c1NC(=O)COc1cccnc1.
What is the InChIKey of N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide?
The InChIKey is NKSHBXTWRAXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-13(5-2)20-16(12(3)9-18-20)19-15(21)11-22-14-7-6-8-17-10-14/h6-10,13H,4-5,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide?
N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide has a molecular weight of 302.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 46985123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).