N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide

C25H23N5O2 — CID 122181811

IUPACN-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CCNC(=O)/C=C/c2cnc3ccccn23)cc1
InChIInChI=1S/C25H23N5O2/c26-21-5-1-2-6-22(21)29-25(32)19-10-8-18(9-11-19)14-15-27-24(31)13-12-20-17-28-23-7-3-4-16-30(20)23/h1-13,16-17H,14-15,26H2,(H,27,31)(H,29,32)/b13-12+
InChIKeyRAJDPDRTHFGZDV-OUKQBFOZSA-N
MW425.49 g/mol
LogP3.54
Rot. Bonds7

About N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide

N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide (PubChem CID 122181811) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide
PubChem CID122181811
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CCNC(=O)/C=C/c2cnc3ccccn23)cc1
InChIInChI=1S/C25H23N5O2/c26-21-5-1-2-6-22(21)29-25(32)19-10-8-18(9-11-19)14-15-27-24(31)13-12-20-17-28-23-7-3-4-16-30(20)23/h1-13,16-17H,14-15,26H2,(H,27,31)(H,29,32)/b13-12+
InChIKeyRAJDPDRTHFGZDV-OUKQBFOZSA-N
XLogP3.54
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide (CID 122181811) is N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CCNC(=O)/C=C/c2cnc3ccccn23)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is RAJDPDRTHFGZDV-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H23N5O2/c26-21-5-1-2-6-22(21)29-25(32)19-10-8-18(9-11-19)14-15-27-24(31)13-12-20-17-28-23-7-3-4-16-30(20)23/h1-13,16-17H,14-15,26H2,(H,27,31)(H,29,32)/b13-12+.
What are the key properties of N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide?
N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 122181811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).