N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide

C14H23N3O2 — CID 103195106

IUPACN-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
SMILESO=C1NCC2C1CCCN2C(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O2/c18-13-11-7-4-8-17(12(11)9-15-13)14(19)16-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,15,18)(H,16,19)
InChIKeyGWTAZEXTPPDADI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.24
Rot. Bonds1

About N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide

N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide (PubChem CID 103195106) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
PubChem CID103195106
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
SMILESO=C1NCC2C1CCCN2C(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O2/c18-13-11-7-4-8-17(12(11)9-15-13)14(19)16-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,15,18)(H,16,19)
InChIKeyGWTAZEXTPPDADI-UHFFFAOYSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide with MolForge

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Related Compounds

N~1~-cyclohexyl-1,3-piperidinedicarboxamide
CID 2947158
(3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
CID 162987928
1-[(3R,8S,8aS)-1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]-3-cyclohexylurea
CID 11865770
(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 119031176
rac-(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 122163742
(8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75368409
(4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 91654543
5-(2-(piperidin-4-yl)acetyl)octahydro-2H-pyrrolo[3,2-c]pyridin-2-one
CID 118946530
3-(2-Methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
CID 90706273
rac-(4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one, cis
CID 92845012
cis-3a-Fluoro-5-isopropyl-N-methyl-4-oxohexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxamide
CID 97521723
1-(4-amino-1,1,1-trifluorobutan-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194950

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
The IUPAC name of N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide (CID 103195106) is N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide is O=C1NCC2C1CCCN2C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
The InChIKey is GWTAZEXTPPDADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-13-11-7-4-8-17(12(11)9-15-13)14(19)16-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,15,18)(H,16,19).
What are the key properties of N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide is sourced from PubChem (CID 103195106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).