N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide

C15H22N4O2 — CID 166024390

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CN3CCCCC3N2)ccc1=O
InChIInChI=1S/C15H22N4O2/c1-2-18-9-11(6-7-14(18)20)16-15(21)12-10-19-8-4-3-5-13(19)17-12/h6-7,9,12-13,17H,2-5,8,10H2,1H3,(H,16,21)
InChIKeyXGLKZBMKKYVVRN-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.59
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 166024390) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID166024390
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CN3CCCCC3N2)ccc1=O
InChIInChI=1S/C15H22N4O2/c1-2-18-9-11(6-7-14(18)20)16-15(21)12-10-19-8-4-3-5-13(19)17-12/h6-7,9,12-13,17H,2-5,8,10H2,1H3,(H,16,21)
InChIKeyXGLKZBMKKYVVRN-UHFFFAOYSA-N
XLogP0.59
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 166024390) is N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide is CCn1cc(NC(=O)C2CN3CCCCC3N2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is XGLKZBMKKYVVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-18-9-11(6-7-14(18)20)16-15(21)12-10-19-8-4-3-5-13(19)17-12/h6-7,9,12-13,17H,2-5,8,10H2,1H3,(H,16,21).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 166024390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).