N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H12N6O3 — CID 108760932

IUPACN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESN#Cc1cnn(-c2ccccn2)c1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H12N6O3/c20-9-12-10-22-25(15-7-3-4-8-21-15)17(12)23-16(26)11-24-18(27)13-5-1-2-6-14(13)19(24)28/h1-8,10H,11H2,(H,23,26)
InChIKeyNFOUMBQZPJUUGZ-UHFFFAOYSA-N
MW372.34 g/mol
LogP1.37
Rot. Bonds4

About N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 108760932) has the molecular formula C19H12N6O3 and a molecular weight of 372.34 g/mol. Its IUPAC name is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID108760932
Molecular FormulaC19H12N6O3
Molecular Weight372.34 g/mol
Exact Mass372.10
IUPAC NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESN#Cc1cnn(-c2ccccn2)c1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H12N6O3/c20-9-12-10-22-25(15-7-3-4-8-21-15)17(12)23-16(26)11-24-18(27)13-5-1-2-6-14(13)19(24)28/h1-8,10H,11H2,(H,23,26)
InChIKeyNFOUMBQZPJUUGZ-UHFFFAOYSA-N
XLogP1.37
TPSA120.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propylphenoxy)acetamide
CID 108760998
2-butan-2-yl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108760938
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-phenylthiourea
CID 108782402
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108738156
4-(4-bromo-2-chlorophenoxy)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)butanamide
CID 108761007
1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
CID 108738120
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108760984
1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 108760980

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 108760932) is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is N#Cc1cnn(-c2ccccn2)c1NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is NFOUMBQZPJUUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O3/c20-9-12-10-22-25(15-7-3-4-8-21-15)17(12)23-16(26)11-24-18(27)13-5-1-2-6-14(13)19(24)28/h1-8,10H,11H2,(H,23,26).
What are the key properties of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 372.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 108760932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).