N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide

C23H30N4O4 — CID 42654229

IUPACN-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide
SMILESCC(C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C23H30N4O4/c1-15(26-21(29)18-12-13-24-14-19(18)22(26)30)20(28)27(17-10-6-3-7-11-17)23(31)25-16-8-4-2-5-9-16/h12-17H,2-11H2,1H3,(H,25,31)
InChIKeyOTDPIXZOZMIGKO-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.27
Rot. Bonds4

About N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide

N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide (PubChem CID 42654229) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide
PubChem CID42654229
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide
SMILESCC(C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C23H30N4O4/c1-15(26-21(29)18-12-13-24-14-19(18)22(26)30)20(28)27(17-10-6-3-7-11-17)23(31)25-16-8-4-2-5-9-16/h12-17H,2-11H2,1H3,(H,25,31)
InChIKeyOTDPIXZOZMIGKO-UHFFFAOYSA-N
XLogP3.27
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 28935072
[2-(cyclopentylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 3434863
(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 7610446
N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557373
1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872072
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3,3-dimethylbutanoic acid
CID 63644472
CID 11224354
CID 11224354
4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide
CID 139074102
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 84873355
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
4-amino-N-cycloheptylpyridine-3-carboxamide
CID 81236590
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 4517473

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide?
The IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide (CID 42654229) is N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide?
The canonical SMILES for N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide is CC(C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)N1C(=O)c2ccncc2C1=O.
What is the InChIKey of N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide?
The InChIKey is OTDPIXZOZMIGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-15(26-21(29)18-12-13-24-14-19(18)22(26)30)20(28)27(17-10-6-3-7-11-17)23(31)25-16-8-4-2-5-9-16/h12-17H,2-11H2,1H3,(H,25,31).
What are the key properties of N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide?
N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide has a molecular weight of 426.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 42654229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).