N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide

C17H17ClN4O2 — CID 56750165

IUPACN-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCN(Cc1cccnc1Cl)C(=O)CC1(C)C(=O)N=C2C=CC=CN21
InChIInChI=1S/C17H17ClN4O2/c1-17(16(24)20-13-7-3-4-9-22(13)17)10-14(23)21(2)11-12-6-5-8-19-15(12)18/h3-9H,10-11H2,1-2H3
InChIKeyBABSXVXIVPBEJJ-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.17
Rot. Bonds4

About N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide

N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 56750165) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID56750165
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCN(Cc1cccnc1Cl)C(=O)CC1(C)C(=O)N=C2C=CC=CN21
InChIInChI=1S/C17H17ClN4O2/c1-17(16(24)20-13-7-3-4-9-22(13)17)10-14(23)21(2)11-12-6-5-8-19-15(12)18/h3-9H,10-11H2,1-2H3
InChIKeyBABSXVXIVPBEJJ-UHFFFAOYSA-N
XLogP2.17
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide 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-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide (CID 56750165) is N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide is CN(Cc1cccnc1Cl)C(=O)CC1(C)C(=O)N=C2C=CC=CN21.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is BABSXVXIVPBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-17(16(24)20-13-7-3-4-9-22(13)17)10-14(23)21(2)11-12-6-5-8-19-15(12)18/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide?
N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 344.80 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-2-(3-methyl-2-oxoimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 56750165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).