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

C17H23ClN4O2 — CID 95551865

IUPAC6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@@H](CO)C1
InChIInChI=1S/C17H23ClN4O2/c1-20(2)17(24)16-14(10-21-7-3-4-12(8-21)11-23)22-9-13(18)5-6-15(22)19-16/h5-6,9,12,23H,3-4,7-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyHDPUQPUGMDMGEJ-GFCCVEGCSA-N
MW350.85 g/mol
LogP1.89
Rot. Bonds4

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

6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 95551865) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID95551865
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@@H](CO)C1
InChIInChI=1S/C17H23ClN4O2/c1-20(2)17(24)16-14(10-21-7-3-4-12(8-21)11-23)22-9-13(18)5-6-15(22)19-16/h5-6,9,12,23H,3-4,7-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyHDPUQPUGMDMGEJ-GFCCVEGCSA-N
XLogP1.89
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 56871895
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-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 56879033
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide
CID 45204252
[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-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 42512316
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
CID 16807449
[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
methyl (2S)-1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 42286529

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide (CID 95551865) is 6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide is CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@@H](CO)C1.
What is the InChIKey of 6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HDPUQPUGMDMGEJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-20(2)17(24)16-14(10-21-7-3-4-12(8-21)11-23)22-9-13(18)5-6-15(22)19-16/h5-6,9,12,23H,3-4,7-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 95551865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).