(2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide

C17H19ClN4O2 — CID 97450001

IUPAC(2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1c(Cl)nc2ccccn12
InChIInChI=1S/C17H19ClN4O2/c1-19-17(24)13-6-2-4-11-22(13)15(23)9-8-12-16(18)20-14-7-3-5-10-21(12)14/h3,5,7-10,13H,2,4,6,11H2,1H3,(H,19,24)/b9-8-/t13-/m1/s1
InChIKeyJALLRJCAOKWGPJ-LJTDUEICSA-N
MW346.82 g/mol
LogP2.13
Rot. Bonds3

About (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide

(2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 97450001) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
PubChem CID97450001
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1c(Cl)nc2ccccn12
InChIInChI=1S/C17H19ClN4O2/c1-19-17(24)13-6-2-4-11-22(13)15(23)9-8-12-16(18)20-14-7-3-5-10-21(12)14/h3,5,7-10,13H,2,4,6,11H2,1H3,(H,19,24)/b9-8-/t13-/m1/s1
InChIKeyJALLRJCAOKWGPJ-LJTDUEICSA-N
XLogP2.13
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one
CID 75462956
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopentylprop-2-enamide
CID 9214004
1-[3-(2-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897283
ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate
CID 102603303
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 6212485
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897284
2-[4-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]thiomorpholin-3-yl]acetic acid
CID 91943274
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 8951364
1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897286
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
CID 115343409
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735428
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 2349298

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide (CID 97450001) is (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide is CNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1c(Cl)nc2ccccn12.
What is the InChIKey of (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is JALLRJCAOKWGPJ-LJTDUEICSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-19-17(24)13-6-2-4-11-22(13)15(23)9-8-12-16(18)20-14-7-3-5-10-21(12)14/h3,5,7-10,13H,2,4,6,11H2,1H3,(H,19,24)/b9-8-/t13-/m1/s1.
What are the key properties of (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide?
(2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 97450001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).