N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide

C20H21N5O5 — CID 169211230

IUPACN-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNC1CC2C(=O)N3CC(NC(=O)c4ccc5c(c4)C(=O)NC5=O)CC3C(=O)N2C1
InChIInChI=1S/C20H21N5O5/c1-21-10-5-14-19(29)25-8-11(6-15(25)20(30)24(14)7-10)22-16(26)9-2-3-12-13(4-9)18(28)23-17(12)27/h2-4,10-11,14-15,21H,5-8H2,1H3,(H,22,26)(H,23,27,28)
InChIKeyOMWJVBRBPGVULI-UHFFFAOYSA-N
MW411.42 g/mol
LogP-1.53
Rot. Bonds3

About N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide

N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 169211230) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID169211230
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC NameN-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNC1CC2C(=O)N3CC(NC(=O)c4ccc5c(c4)C(=O)NC5=O)CC3C(=O)N2C1
InChIInChI=1S/C20H21N5O5/c1-21-10-5-14-19(29)25-8-11(6-15(25)20(30)24(14)7-10)22-16(26)9-2-3-12-13(4-9)18(28)23-17(12)27/h2-4,10-11,14-15,21H,5-8H2,1H3,(H,22,26)(H,23,27,28)
InChIKeyOMWJVBRBPGVULI-UHFFFAOYSA-N
XLogP-1.53
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide with MolForge

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Related Compounds

N-[(3S,5S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-4-fluorobenzamide
CID 126461569
N-[(3S,7S,8aS)-3-methyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-fluoro-4-methylbenzamide
CID 56853527
N-[(3R,7S,8aS)-3-methyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3,5-dichlorobenzamide
CID 56854770
N-[(3R,7S,8aS)-3-(hydroxymethyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-4-methylbenzamide
CID 56918775
N-[(3S,7S,8aS)-1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-4-chlorobenzamide
CID 56855758
N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-pyrrol-1-ylbenzamide
CID 56758393
N-[(6aR,8R)-3-chloro-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-4-methoxybenzamide
CID 162805183
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
N-[(3R,7S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-fluoro-4-methylbenzamide
CID 56859173
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
N-[(3R,7S,8aS)-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-4-methylbenzamide
CID 56860437
N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 56757130

Frequently Asked Questions

What is the IUPAC name of N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide (CID 169211230) is N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide is CNC1CC2C(=O)N3CC(NC(=O)c4ccc5c(c4)C(=O)NC5=O)CC3C(=O)N2C1.
What is the InChIKey of N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is OMWJVBRBPGVULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-21-10-5-14-19(29)25-8-11(6-15(25)20(30)24(14)7-10)22-16(26)9-2-3-12-13(4-9)18(28)23-17(12)27/h2-4,10-11,14-15,21H,5-8H2,1H3,(H,22,26)(H,23,27,28).
What are the key properties of N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide?
N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 411.42 g/mol, XLogP of -1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[11-(methylamino)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 169211230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).