6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide

C18H20N4O3 — CID 19405045

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
SMILESCn1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C18H20N4O3/c1-21-12-10-15(20-21)19-16(23)9-3-2-6-11-22-17(24)13-7-4-5-8-14(13)18(22)25/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,19,20,23)
InChIKeyFCRSIJIEHCVPHW-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.22
Rot. Bonds7

About 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide (PubChem CID 19405045) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
PubChem CID19405045
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
SMILESCn1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C18H20N4O3/c1-21-12-10-15(20-21)19-16(23)9-3-2-6-11-22-17(24)13-7-4-5-8-14(13)18(22)25/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,19,20,23)
InChIKeyFCRSIJIEHCVPHW-UHFFFAOYSA-N
XLogP2.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19398922
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
6-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-(1-methylpyrazol-3-yl)hexanamide
CID 135857702
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
6-(1,3-dioxoisoindol-2-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]hexanamide
CID 19409660
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]butanamide
CID 110370396

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide (CID 19405045) is 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide is Cn1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide?
The InChIKey is FCRSIJIEHCVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21-12-10-15(20-21)19-16(23)9-3-2-6-11-22-17(24)13-7-4-5-8-14(13)18(22)25/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,19,20,23).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide has a molecular weight of 340.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide is sourced from PubChem (CID 19405045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).