(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide

C22H16N4O3 — CID 121148960

IUPAC(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1cn2ccccc2n1
InChIInChI=1S/C22H16N4O3/c27-22(13-10-16-8-11-17(12-9-16)26(28)29)24-19-6-2-1-5-18(19)20-15-25-14-4-3-7-21(25)23-20/h1-15H,(H,24,27)/b13-10+
InChIKeyHRWNTMDKDZNHRK-JLHYYAGUSA-N
MW384.40 g/mol
LogP4.56
Rot. Bonds5

About (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 121148960) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID121148960
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1cn2ccccc2n1
InChIInChI=1S/C22H16N4O3/c27-22(13-10-16-8-11-17(12-9-16)26(28)29)24-19-6-2-1-5-18(19)20-15-25-14-4-3-7-21(25)23-20/h1-15H,(H,24,27)/b13-10+
InChIKeyHRWNTMDKDZNHRK-JLHYYAGUSA-N
XLogP4.56
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-nitrophenyl)acetamide
CID 121148862
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 121148942
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 6012174
N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4591037
3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 91942402
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enamide
CID 122283426
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 121148841
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
CID 121149196
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
CID 121055658
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 121148960) is (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1cn2ccccc2n1.
What is the InChIKey of (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is HRWNTMDKDZNHRK-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-22(13-10-16-8-11-17(12-9-16)26(28)29)24-19-6-2-1-5-18(19)20-15-25-14-4-3-7-21(25)23-20/h1-15H,(H,24,27)/b13-10+.
What are the key properties of (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 384.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 121148960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).