N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide

C16H24N4O3 — CID 166419305

IUPACN-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NCCN2CC3CCCCN3C2=O)C1
InChIInChI=1S/C16H24N4O3/c1-2-14(21)19-9-12(10-19)15(22)17-6-8-18-11-13-5-3-4-7-20(13)16(18)23/h2,12-13H,1,3-11H2,(H,17,22)
InChIKeyIKMZYWNIBXEWOT-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.04
Rot. Bonds5

About N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide

N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide (PubChem CID 166419305) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide
PubChem CID166419305
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NCCN2CC3CCCCN3C2=O)C1
InChIInChI=1S/C16H24N4O3/c1-2-14(21)19-9-12(10-19)15(22)17-6-8-18-11-13-5-3-4-7-20(13)16(18)23/h2,12-13H,1,3-11H2,(H,17,22)
InChIKeyIKMZYWNIBXEWOT-UHFFFAOYSA-N
XLogP0.04
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide?
The IUPAC name of N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide (CID 166419305) is N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide?
The canonical SMILES for N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide is C=CC(=O)N1CC(C(=O)NCCN2CC3CCCCN3C2=O)C1.
What is the InChIKey of N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide?
The InChIKey is IKMZYWNIBXEWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-14(21)19-9-12(10-19)15(22)17-6-8-18-11-13-5-3-4-7-20(13)16(18)23/h2,12-13H,1,3-11H2,(H,17,22).
What are the key properties of N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide?
N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide is sourced from PubChem (CID 166419305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).