N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide

C23H19N5O4 — CID 24598095

IUPACN-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H19N5O4/c1-15-5-6-17(12-20(15)28(31)32)23(30)24-13-22(29)25-18-9-7-16(8-10-18)19-14-27-11-3-2-4-21(27)26-19/h2-12,14H,13H2,1H3,(H,24,30)(H,25,29)
InChIKeyJLPUFTMSZJSLES-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide

N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide (PubChem CID 24598095) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide
PubChem CID24598095
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC NameN-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H19N5O4/c1-15-5-6-17(12-20(15)28(31)32)23(30)24-13-22(29)25-18-9-7-16(8-10-18)19-14-27-11-3-2-4-21(27)26-19/h2-12,14H,13H2,1H3,(H,24,30)(H,25,29)
InChIKeyJLPUFTMSZJSLES-UHFFFAOYSA-N
XLogP3.59
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
CID 121055658
N-[2-[[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24598074
N-[2-[4-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]-4-methyl-3-nitrobenzamide
CID 24647270
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbenzamide
CID 40570291
4-methyl-N-[2-(3-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 24574857
4-methyl-3-nitro-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 42394048
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3,4-dimethylbenzamide
CID 121055609
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226218
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
CID 60671510
4-methyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 16962883
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 37051251
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide (CID 24598095) is N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide?
The InChIKey is JLPUFTMSZJSLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-15-5-6-17(12-20(15)28(31)32)23(30)24-13-22(29)25-18-9-7-16(8-10-18)19-14-27-11-3-2-4-21(27)26-19/h2-12,14H,13H2,1H3,(H,24,30)(H,25,29).
What are the key properties of N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide?
N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide has a molecular weight of 429.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 24598095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).