6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide

C18H18N4O2 — CID 51117263

IUPAC6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C18H18N4O2/c1-13(2)24-17-8-7-14(12-19-17)18(23)21-15-5-3-6-16(11-15)22-10-4-9-20-22/h3-13H,1-2H3,(H,21,23)
InChIKeyKWBIWGXLXMLRKK-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.31
Rot. Bonds5

About 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide

6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 51117263) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
PubChem CID51117263
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C18H18N4O2/c1-13(2)24-17-8-7-14(12-19-17)18(23)21-15-5-3-6-16(11-15)22-10-4-9-20-22/h3-13H,1-2H3,(H,21,23)
InChIKeyKWBIWGXLXMLRKK-UHFFFAOYSA-N
XLogP3.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 46460087
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(1-phenylethoxy)pyridine-3-carboxamide
CID 47047407
6-oxo-N-(3-pyrazol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 60779425
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
methyl 2-(3-pyrazol-1-ylanilino)propanoate
CID 66174331
1,1,3-trioxo-2-propan-2-yl-N-(3-pyrazol-1-ylphenyl)-1,2-benzothiazole-6-carboxamide
CID 55838028
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611
N-(3-pyrazol-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28809956
N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
CID 95968194
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide (CID 51117263) is 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cn1.
What is the InChIKey of 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is KWBIWGXLXMLRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(2)24-17-8-7-14(12-19-17)18(23)21-15-5-3-6-16(11-15)22-10-4-9-20-22/h3-13H,1-2H3,(H,21,23).
What are the key properties of 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 51117263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).