(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide

C25H23N3O3 — CID 121149196

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)cc1OC
InChIInChI=1S/C25H23N3O3/c1-17-7-6-14-28-16-21(27-25(17)28)19-8-4-5-9-20(19)26-24(29)13-11-18-10-12-22(30-2)23(15-18)31-3/h4-16H,1-3H3,(H,26,29)/b13-11+
InChIKeyMXEVJWSSJYDABC-ACCUITESSA-N
MW413.48 g/mol
LogP4.98
Rot. Bonds6

About (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide (PubChem CID 121149196) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
PubChem CID121149196
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)cc1OC
InChIInChI=1S/C25H23N3O3/c1-17-7-6-14-28-16-21(27-25(17)28)19-8-4-5-9-20(19)26-24(29)13-11-18-10-12-22(30-2)23(15-18)31-3/h4-16H,1-3H3,(H,26,29)/b13-11+
InChIKeyMXEVJWSSJYDABC-ACCUITESSA-N
XLogP4.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 28865327
3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 119099864
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide
CID 2331797
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121149334
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 121055726
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 121149229
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-4-carboxamide
CID 121149153
ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 135290044
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
CID 34585271
2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide
CID 103597998

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide (CID 121149196) is (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?
The InChIKey is MXEVJWSSJYDABC-ACCUITESSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-7-6-14-28-16-21(27-25(17)28)19-8-4-5-9-20(19)26-24(29)13-11-18-10-12-22(30-2)23(15-18)31-3/h4-16H,1-3H3,(H,26,29)/b13-11+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide has a molecular weight of 413.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 121149196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).