N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H23N5O3S — CID 52506063

IUPACN-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN1CCCCCC1=NS(=O)(=O)c1ccc(NC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C21H23N5O3S/c1-25-13-5-2-3-8-20(25)24-30(28,29)17-11-9-16(10-12-17)22-21(27)18-15-26-14-6-4-7-19(26)23-18/h4,6-7,9-12,14-15H,2-3,5,8,13H2,1H3,(H,22,27)
InChIKeyKZFXFURNRUVETQ-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.18
Rot. Bonds4

About N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 52506063) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID52506063
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN1CCCCCC1=NS(=O)(=O)c1ccc(NC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C21H23N5O3S/c1-25-13-5-2-3-8-20(25)24-30(28,29)17-11-9-16(10-12-17)22-21(27)18-15-26-14-6-4-7-19(26)23-18/h4,6-7,9-12,14-15H,2-3,5,8,13H2,1H3,(H,22,27)
InChIKeyKZFXFURNRUVETQ-UHFFFAOYSA-N
XLogP3.18
TPSA96.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]prop-2-enamide
CID 55967562
4-acetamido-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956793
N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 51956830
2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 134058131
1-[(2-chlorophenyl)methyl]-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyrazole-4-carboxamide
CID 60557805
N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60558045
4-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-2-carboxamide
CID 55810712
4-(methoxymethyl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956848
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
2-chloro-4,5-difluoro-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956833
5,7-dimethyl-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51956843
5-(1,3-benzothiazol-2-yl)-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]thiophene-2-carboxamide
CID 60557891

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 52506063) is N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide is CN1CCCCCC1=NS(=O)(=O)c1ccc(NC(=O)c2cn3ccccc3n2)cc1.
What is the InChIKey of N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KZFXFURNRUVETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-25-13-5-2-3-8-20(25)24-30(28,29)17-11-9-16(10-12-17)22-21(27)18-15-26-14-6-4-7-19(26)23-18/h4,6-7,9-12,14-15H,2-3,5,8,13H2,1H3,(H,22,27).
What are the key properties of N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 52506063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).