6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

C14H17ClN4O2 — CID 56879033

IUPAC6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CC(O)C1
InChIInChI=1S/C14H17ClN4O2/c1-17(2)14(21)13-11(8-18-6-10(20)7-18)19-5-9(15)3-4-12(19)16-13/h3-5,10,20H,6-8H2,1-2H3
InChIKeyPJCNCTZLFXDBEA-UHFFFAOYSA-N
MW308.77 g/mol
LogP0.87
Rot. Bonds3

About 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 56879033) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID56879033
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CC(O)C1
InChIInChI=1S/C14H17ClN4O2/c1-17(2)14(21)13-11(8-18-6-10(20)7-18)19-5-9(15)3-4-12(19)16-13/h3-5,10,20H,6-8H2,1-2H3
InChIKeyPJCNCTZLFXDBEA-UHFFFAOYSA-N
XLogP0.87
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-6-chloro-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 29256694
6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 95551865
6-chloro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 56871895
[6-chloro-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42513030
6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122290
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide
CID 45204252
[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24817599
2-[[(3S,5R)-3-amino-5-hydroxypiperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154920609
4-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-2,6-dimethylmorpholine
CID 3709027
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
[6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 42512316

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide (CID 56879033) is 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide is CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CC(O)C1.
What is the InChIKey of 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PJCNCTZLFXDBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-17(2)14(21)13-11(8-18-6-10(20)7-18)19-5-9(15)3-4-12(19)16-13/h3-5,10,20H,6-8H2,1-2H3.
What are the key properties of 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 56879033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).