N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide

C19H26N4O2 — CID 110630721

IUPACN-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(=O)NCCCNC(=O)c1nc(C2CCCCC2)n2ccccc12
InChIInChI=1S/C19H26N4O2/c1-14(24)20-11-7-12-21-19(25)17-16-10-5-6-13-23(16)18(22-17)15-8-3-2-4-9-15/h5-6,10,13,15H,2-4,7-9,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyIPXNLJJVOAKLGY-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.64
Rot. Bonds6

About N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide

N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110630721) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110630721
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(=O)NCCCNC(=O)c1nc(C2CCCCC2)n2ccccc12
InChIInChI=1S/C19H26N4O2/c1-14(24)20-11-7-12-21-19(25)17-16-10-5-6-13-23(16)18(22-17)15-8-3-2-4-9-15/h5-6,10,13,15H,2-4,7-9,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyIPXNLJJVOAKLGY-UHFFFAOYSA-N
XLogP2.64
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide (CID 110630721) is N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide is CC(=O)NCCCNC(=O)c1nc(C2CCCCC2)n2ccccc12.
What is the InChIKey of N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is IPXNLJJVOAKLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(24)20-11-7-12-21-19(25)17-16-10-5-6-13-23(16)18(22-17)15-8-3-2-4-9-15/h5-6,10,13,15H,2-4,7-9,11-12H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide?
N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110630721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).