N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C24H20ClN5O3 — CID 126006738

IUPACN-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClN5O3/c1-16-23(30-13-5-4-8-21(30)27-16)24(32)29-26-14-17-9-11-18(12-10-17)33-15-22(31)28-20-7-3-2-6-19(20)25/h2-14H,15H2,1H3,(H,28,31)(H,29,32)/b26-14-
InChIKeyXDTAKQUQHUPZIW-WGARJPEWSA-N
MW461.91 g/mol
LogP4.08
Rot. Bonds7

About N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126006738) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126006738
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC NameN-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClN5O3/c1-16-23(30-13-5-4-8-21(30)27-16)24(32)29-26-14-17-9-11-18(12-10-17)33-15-22(31)28-20-7-3-2-6-19(20)25/h2-14H,15H2,1H3,(H,28,31)(H,29,32)/b26-14-
InChIKeyXDTAKQUQHUPZIW-WGARJPEWSA-N
XLogP4.08
TPSA97.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 124539662
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009610
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 94832973
N'-[[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 3131650
methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126002970
ethyl 4-[[2-[(2Z)-2-[[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 94863679
4-methoxy-N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012880
N-[(E)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126265913
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6181482
2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7016859
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 41020309

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 126006738) is N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XDTAKQUQHUPZIW-WGARJPEWSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c1-16-23(30-13-5-4-8-21(30)27-16)24(32)29-26-14-17-9-11-18(12-10-17)33-15-22(31)28-20-7-3-2-6-19(20)25/h2-14H,15H2,1H3,(H,28,31)(H,29,32)/b26-14-.
What are the key properties of N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 461.91 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126006738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).