(2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide

C17H21ClN4O2 — CID 94796177

IUPAC(2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C17H21ClN4O2/c1-2-16(23)22-8-4-3-5-14(22)17(24)19-9-13-11-21-10-12(18)6-7-15(21)20-13/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,19,24)/t14-/m0/s1
InChIKeyQDPLNFDEHHODJJ-AWEZNQCLSA-N
MW348.83 g/mol
LogP2.39
Rot. Bonds4

About (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide

(2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide (PubChem CID 94796177) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide
PubChem CID94796177
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name(2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C17H21ClN4O2/c1-2-16(23)22-8-4-3-5-14(22)17(24)19-9-13-11-21-10-12(18)6-7-15(21)20-13/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,19,24)/t14-/m0/s1
InChIKeyQDPLNFDEHHODJJ-AWEZNQCLSA-N
XLogP2.39
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide
CID 47068399
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47897775
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide
CID 50828964
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanamine
CID 78912632
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylethyl)urea
CID 47221365
1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 60559765
(2R)-1-[2-(4-chlorophenyl)acetyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 20973336
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55652041
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide
CID 119151426
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
CID 55835703
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130101

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide (CID 94796177) is (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide is CCC(=O)N1CCCC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide?
The InChIKey is QDPLNFDEHHODJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-2-16(23)22-8-4-3-5-14(22)17(24)19-9-13-11-21-10-12(18)6-7-15(21)20-13/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,19,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide?
(2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide is sourced from PubChem (CID 94796177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).