6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide

C23H23N5O3 — CID 172741673

IUPAC6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cn(-c3ccc(C(=O)NCCC4CCCCO4)cn3)[nH]c2=O)cc1
InChIInChI=1S/C23H23N5O3/c24-13-16-4-6-17(7-5-16)20-15-28(27-23(20)30)21-9-8-18(14-26-21)22(29)25-11-10-19-3-1-2-12-31-19/h4-9,14-15,19H,1-3,10-12H2,(H,25,29)(H,27,30)
InChIKeyJEINFPQORWBIQR-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.79
Rot. Bonds6

About 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide

6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 172741673) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID172741673
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cn(-c3ccc(C(=O)NCCC4CCCCO4)cn3)[nH]c2=O)cc1
InChIInChI=1S/C23H23N5O3/c24-13-16-4-6-17(7-5-16)20-15-28(27-23(20)30)21-9-8-18(14-26-21)22(29)25-11-10-19-3-1-2-12-31-19/h4-9,14-15,19H,1-3,10-12H2,(H,25,29)(H,27,30)
InChIKeyJEINFPQORWBIQR-UHFFFAOYSA-N
XLogP2.79
TPSA112.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 172682404
6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 172819697
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 172825187
6-[4-[4-(cyanomethyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 172740380
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 172718136
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291
6-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 62176089
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide (CID 172741673) is 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide is N#Cc1ccc(-c2cn(-c3ccc(C(=O)NCCC4CCCCO4)cn3)[nH]c2=O)cc1.
What is the InChIKey of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is JEINFPQORWBIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c24-13-16-4-6-17(7-5-16)20-15-28(27-23(20)30)21-9-8-18(14-26-21)22(29)25-11-10-19-3-1-2-12-31-19/h4-9,14-15,19H,1-3,10-12H2,(H,25,29)(H,27,30).
What are the key properties of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 172741673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).