N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide

C26H25N5O2 — CID 122181813

IUPACN-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide
SMILESCc1nc2ccccn2c1/C=C/C(=O)NCCc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C26H25N5O2/c1-18-23(31-17-5-4-8-24(31)29-18)13-14-25(32)28-16-15-19-9-11-20(12-10-19)26(33)30-22-7-3-2-6-21(22)27/h2-14,17H,15-16,27H2,1H3,(H,28,32)(H,30,33)/b14-13+
InChIKeyDYIZONIZSVWFND-BUHFOSPRSA-N
MW439.52 g/mol
LogP3.85
Rot. Bonds7

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

N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide (PubChem CID 122181813) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide
PubChem CID122181813
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide
SMILESCc1nc2ccccn2c1/C=C/C(=O)NCCc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C26H25N5O2/c1-18-23(31-17-5-4-8-24(31)29-18)13-14-25(32)28-16-15-19-9-11-20(12-10-19)26(33)30-22-7-3-2-6-21(22)27/h2-14,17H,15-16,27H2,1H3,(H,28,32)(H,30,33)/b14-13+
InChIKeyDYIZONIZSVWFND-BUHFOSPRSA-N
XLogP3.85
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.85
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-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide (CID 122181813) is N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide is Cc1nc2ccccn2c1/C=C/C(=O)NCCc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is DYIZONIZSVWFND-BUHFOSPRSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-18-23(31-17-5-4-8-24(31)29-18)13-14-25(32)28-16-15-19-9-11-20(12-10-19)26(33)30-22-7-3-2-6-21(22)27/h2-14,17H,15-16,27H2,1H3,(H,28,32)(H,30,33)/b14-13+.
What are the key properties of N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide?
N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 3.85, 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-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 122181813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).