2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide

C24H25N5O4S — CID 55968205

IUPAC2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1
InChIInChI=1S/C24H25N5O4S/c1-29-16-6-10-22(29)28-34(31,32)18-13-11-17(12-14-18)26-24(30)19-7-5-15-25-23(19)27-20-8-3-4-9-21(20)33-2/h3-5,7-9,11-15H,6,10,16H2,1-2H3,(H,25,27)(H,26,30)/b28-22-
InChIKeyDXMDNFFOBJEWRD-SLMZUGIISA-N
MW479.56 g/mol
LogP3.90
Rot. Bonds7

About 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide

2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide (PubChem CID 55968205) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
PubChem CID55968205
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1
InChIInChI=1S/C24H25N5O4S/c1-29-16-6-10-22(29)28-34(31,32)18-13-11-17(12-14-18)26-24(30)19-7-5-15-25-23(19)27-20-8-3-4-9-21(20)33-2/h3-5,7-9,11-15H,6,10,16H2,1-2H3,(H,25,27)(H,26,30)/b28-22-
InChIKeyDXMDNFFOBJEWRD-SLMZUGIISA-N
XLogP3.90
TPSA112.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
5-methoxy-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55968841
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 56585498
3,4-dimethoxy-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-prop-2-enylbenzamide
CID 55768127
2-chloro-4-fluoro-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956837
4-(methoxymethyl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956848
methyl 5-[[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]carbamoyl]thiophene-2-carboxylate
CID 55968077
2-chloro-4,5-difluoro-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956833
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 55766458
4-methoxy-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]butanamide
CID 55801729
2-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
CID 60549421

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide (CID 55968205) is 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide?
The InChIKey is DXMDNFFOBJEWRD-SLMZUGIISA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-29-16-6-10-22(29)28-34(31,32)18-13-11-17(12-14-18)26-24(30)19-7-5-15-25-23(19)27-20-8-3-4-9-21(20)33-2/h3-5,7-9,11-15H,6,10,16H2,1-2H3,(H,25,27)(H,26,30)/b28-22-.
What are the key properties of 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55968205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).