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

C20H19N5O3 — CID 172825187

IUPAC6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(-n2cc(-c3ccc(C#N)cc3)c(=O)[nH]2)nc1
InChIInChI=1S/C20H19N5O3/c1-28-10-2-9-22-19(26)16-7-8-18(23-12-16)25-13-17(20(27)24-25)15-5-3-14(11-21)4-6-15/h3-8,12-13H,2,9-10H2,1H3,(H,22,26)(H,24,27)
InChIKeyUTNGBEJDYAOILU-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.87
Rot. Bonds7

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

6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 172825187) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID172825187
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(-n2cc(-c3ccc(C#N)cc3)c(=O)[nH]2)nc1
InChIInChI=1S/C20H19N5O3/c1-28-10-2-9-22-19(26)16-7-8-18(23-12-16)25-13-17(20(27)24-25)15-5-3-14(11-21)4-6-15/h3-8,12-13H,2,9-10H2,1H3,(H,22,26)(H,24,27)
InChIKeyUTNGBEJDYAOILU-UHFFFAOYSA-N
XLogP1.87
TPSA112.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 172861782
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 172682404
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 172741673
6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide
CID 172733582
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-(cyanomethyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 172744078
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 172718136
6-[4-(5-cyano-2-methylcyclohepta-1,4,6-trien-1-yl)-3-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 135129879
6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4268648
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
6-[4-(2-methoxy-6-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 144729678

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 172825187) is 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1ccc(-n2cc(-c3ccc(C#N)cc3)c(=O)[nH]2)nc1.
What is the InChIKey of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is UTNGBEJDYAOILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-28-10-2-9-22-19(26)16-7-8-18(23-12-16)25-13-17(20(27)24-25)15-5-3-14(11-21)4-6-15/h3-8,12-13H,2,9-10H2,1H3,(H,22,26)(H,24,27).
What are the key properties of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide?
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.87, 7 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-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 172825187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).