3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C13H21N3O — CID 68907657

IUPAC3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCCc1c(C(N)=O)nc2n1CCCC2
InChIInChI=1S/C13H21N3O/c1-2-3-4-7-10-12(13(14)17)15-11-8-5-6-9-16(10)11/h2-9H2,1H3,(H2,14,17)
InChIKeyNEFAMMYCFMUZOB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.05
Rot. Bonds5

About 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 68907657) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID68907657
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCCc1c(C(N)=O)nc2n1CCCC2
InChIInChI=1S/C13H21N3O/c1-2-3-4-7-10-12(13(14)17)15-11-8-5-6-9-16(10)11/h2-9H2,1H3,(H2,14,17)
InChIKeyNEFAMMYCFMUZOB-UHFFFAOYSA-N
XLogP2.05
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 68907657) is 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CCCCCc1c(C(N)=O)nc2n1CCCC2.
What is the InChIKey of 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NEFAMMYCFMUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-4-7-10-12(13(14)17)15-11-8-5-6-9-16(10)11/h2-9H2,1H3,(H2,14,17).
What are the key properties of 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 68907657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).