3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide

C21H22N6O5 — CID 166425489

IUPAC3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c(N)n1
InChIInChI=1S/C21H22N6O5/c1-26-10-14(17(22)25-26)18(29)23-8-2-3-11-4-5-12-13(9-11)21(32)27(20(12)31)15-6-7-16(28)24-19(15)30/h4-5,9-10,15H,2-3,6-8H2,1H3,(H2,22,25)(H,23,29)(H,24,28,30)
InChIKeyXCCWOMRWAXDOMU-UHFFFAOYSA-N
MW438.44 g/mol
LogP-0.23
Rot. Bonds6

About 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide

3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide (PubChem CID 166425489) has the molecular formula C21H22N6O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide
PubChem CID166425489
Molecular FormulaC21H22N6O5
Molecular Weight438.44 g/mol
Exact Mass438.17
IUPAC Name3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c(N)n1
InChIInChI=1S/C21H22N6O5/c1-26-10-14(17(22)25-26)18(29)23-8-2-3-11-4-5-12-13(9-11)21(32)27(20(12)31)15-6-7-16(28)24-19(15)30/h4-5,9-10,15H,2-3,6-8H2,1H3,(H2,22,25)(H,23,29)(H,24,28,30)
InChIKeyXCCWOMRWAXDOMU-UHFFFAOYSA-N
XLogP-0.23
TPSA156.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-4-methylpiperazine-1-carboxamide
CID 167810312
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,2-dimethylbut-3-ynamide
CID 166425439
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide
CID 166425463
(2R,6S)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 166425521
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea
CID 166425552
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide
CID 167961125
N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 166000888
3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]propanoic acid
CID 146485046
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(3-ethynylphenyl)oxamide
CID 166427269
2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 142761599

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide (CID 166425489) is 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c(N)n1.
What is the InChIKey of 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is XCCWOMRWAXDOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O5/c1-26-10-14(17(22)25-26)18(29)23-8-2-3-11-4-5-12-13(9-11)21(32)27(20(12)31)15-6-7-16(28)24-19(15)30/h4-5,9-10,15H,2-3,6-8H2,1H3,(H2,22,25)(H,23,29)(H,24,28,30).
What are the key properties of 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide?
3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 438.44 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166425489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).