N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide

C19H20N6O5S — CID 57395364

IUPACN,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C(=O)N(C)C)cc12
InChIInChI=1S/C19H20N6O5S/c1-13-5-6-16(25(27)28)10-18(13)31(29,30)23(4)20-11-15-12-21-24-8-7-14(9-17(15)24)19(26)22(2)3/h5-12H,1-4H3/b20-11+
InChIKeyHPLAJGFZBUJDIN-RGVLZGJSSA-N
MW444.47 g/mol
LogP1.91
Rot. Bonds6

About N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide

N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 57395364) has the molecular formula C19H20N6O5S and a molecular weight of 444.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID57395364
Molecular FormulaC19H20N6O5S
Molecular Weight444.47 g/mol
Exact Mass444.12
IUPAC NameN,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C(=O)N(C)C)cc12
InChIInChI=1S/C19H20N6O5S/c1-13-5-6-16(25(27)28)10-18(13)31(29,30)23(4)20-11-15-12-21-24-8-7-14(9-17(15)24)19(26)22(2)3/h5-12H,1-4H3/b20-11+
InChIKeyHPLAJGFZBUJDIN-RGVLZGJSSA-N
XLogP1.91
TPSA130.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 25172062
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 25172477
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-ethyl-2-methyl-5-nitrobenzenesulfonamide
CID 25172661
methyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate
CID 25169786
3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 25170000
N,2-dimethyl-5-nitro-N-[(E)-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
CID 25169784
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25170410
N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 25171641
N,2-dimethyl-N-[(E)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide
CID 25171642
N-[(E)-(5-chloropyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 25171855
N-[(E)-(5-bromopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 25171856
N-[(E)-(5-iodopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 25171857

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide (CID 57395364) is N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C(=O)N(C)C)cc12.
What is the InChIKey of N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is HPLAJGFZBUJDIN-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H20N6O5S/c1-13-5-6-16(25(27)28)10-18(13)31(29,30)23(4)20-11-15-12-21-24-8-7-14(9-17(15)24)19(26)22(2)3/h5-12H,1-4H3/b20-11+.
What are the key properties of N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 57395364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).