N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide

C14H23N3O3 — CID 25098020

IUPACN-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide
SMILESCCCCCCNC(=O)N1C(=O)C2CCCCN2C1=O
InChIInChI=1S/C14H23N3O3/c1-2-3-4-6-9-15-13(19)17-12(18)11-8-5-7-10-16(11)14(17)20/h11H,2-10H2,1H3,(H,15,19)
InChIKeyXBDUFAYMUGUKCO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.09
Rot. Bonds5

About N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide

N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide (PubChem CID 25098020) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide
PubChem CID25098020
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide
SMILESCCCCCCNC(=O)N1C(=O)C2CCCCN2C1=O
InChIInChI=1S/C14H23N3O3/c1-2-3-4-6-9-15-13(19)17-12(18)11-8-5-7-10-16(11)14(17)20/h11H,2-10H2,1H3,(H,15,19)
InChIKeyXBDUFAYMUGUKCO-UHFFFAOYSA-N
XLogP2.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide with MolForge

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Related Compounds

3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione
CID 6428987
Cyclo(-D-Ala-L-Pro)
CID 11902953
N-cyclohexyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2109987
(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 5325711
(3S,8As)-3-Methylhexahydropyrrolo(1,2-A)Pyrazine-1,4-Dione
CID 13879951
Octahydroimidazolidino(1,5-a)pyridine-1,3-dione
CID 10654438
(8aR)-1,3-dioxo-N,2-di(propan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 7161700
(8aS)-2-(2-piperidin-1-ylethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 44403182
1,3,6,7,8,8a-Hexahydroimidazo[1,2-a]pyridine-2,5-dione
CID 9989443
1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione
CID 4072727
(3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
CID 162987928
Cyclo(lysyl-prolyl)
CID 194922

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide (CID 25098020) is N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide is CCCCCCNC(=O)N1C(=O)C2CCCCN2C1=O.
What is the InChIKey of N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide?
The InChIKey is XBDUFAYMUGUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-3-4-6-9-15-13(19)17-12(18)11-8-5-7-10-16(11)14(17)20/h11H,2-10H2,1H3,(H,15,19).
What are the key properties of N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide?
N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 25098020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).