(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide

C14H15ClN4O2 — CID 9480802

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
SMILESCN(C)C(=O)CNC(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C14H15ClN4O2/c1-18(2)13(21)9-16-12(20)7-6-10-14(15)17-11-5-3-4-8-19(10)11/h3-8H,9H2,1-2H3,(H,16,20)/b7-6+
InChIKeyVERMNZRNCHBNCK-VOTSOKGWSA-N
MW306.75 g/mol
LogP1.21
Rot. Bonds4

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide (PubChem CID 9480802) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
PubChem CID9480802
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
SMILESCN(C)C(=O)CNC(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C14H15ClN4O2/c1-18(2)13(21)9-16-12(20)7-6-10-14(15)17-11-5-3-4-8-19(10)11/h3-8H,9H2,1-2H3,(H,16,20)/b7-6+
InChIKeyVERMNZRNCHBNCK-VOTSOKGWSA-N
XLogP1.21
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide (CID 9480802) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide is CN(C)C(=O)CNC(=O)/C=C/c1c(Cl)nc2ccccn12.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide?
The InChIKey is VERMNZRNCHBNCK-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-18(2)13(21)9-16-12(20)7-6-10-14(15)17-11-5-3-4-8-19(10)11/h3-8H,9H2,1-2H3,(H,16,20)/b7-6+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide has a molecular weight of 306.75 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 9480802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).