N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

C94H92F12N20O15S5 — CID 158532047

IUPACN-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESC1=C/C(=C/c2ccc[nH]2)N=C1.CC(C)S(=O)(=O)NC(=O)c1ccccn1.CC1=CC(C)=N/C1=C(/C)c1[nH]c(C)cc1C.Cc1cccc(-c2nc(C)c(C)[nH]2)n1.Cc1cccc(-c2ncc[nH]2)n1.Cc1ccccc1S(=O)(=O)NC(=O)c1ccccn1.O=C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccn1.O=C(NS(=O)(=O)C(F)(F)F)c1ccccn1.O=C(NS(=O)(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H18N2.C13H12N2O3S.C12H10N2O3S.C11H13N3.C10H5F9N2O3S.C9H9N3.C9H12N2O3S.C9H8N2.C7H5F3N2O3S/c1-8-6-10(3)15-13(8)12(5)14-9(2)7-11(4)16-14;1-10-6-2-3-8-12(10)19(17,18)15-13(16)11-7-4-5-9-14-11;15-12(11-8-4-5-9-13-11)14-18(16,17)10-6-2-1-3-7-10;1-7-5-4-6-10(12-7)11-13-8(2)9(3)14-11;11-7(12,9(15,16)17)8(13,14)10(18,19)25(23,24)21-6(22)5-3-1-2-4-20-5;1-7-3-2-4-8(12-7)9-10-5-6-11-9;1-7(2)15(13,14)11-9(12)8-5-3-4-6-10-8;1-3-8(10-5-1)7-9-4-2-6-11-9;8-7(9,10)16(14,15)12-6(13)5-3-1-2-4-11-5/h6-7,15H,1-5H3;2-9H,1H3,(H,15,16);1-9H,(H,14,15);4-6H,1-3H3,(H,13,14);1-4H,(H,21,22);2-6H,1H3,(H,10,11);3-7H,1-2H3,(H,11,12);1-7,10H;1-4H,(H,12,13)/b14-12-;;;;;;;9-7-;
InChIKeyHNMLKUKAMYCEBT-QHEVWGGISA-N
MW2130.21 g/mol
LogP16.44
Rot. Bonds20

About N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (PubChem CID 158532047) has the molecular formula C94H92F12N20O15S5 and a molecular weight of 2130.21 g/mol. Its IUPAC name is N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
PubChem CID158532047
Molecular FormulaC94H92F12N20O15S5
Molecular Weight2130.21 g/mol
Exact Mass2128.55
IUPAC NameN-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESC1=C/C(=C/c2ccc[nH]2)N=C1.CC(C)S(=O)(=O)NC(=O)c1ccccn1.CC1=CC(C)=N/C1=C(/C)c1[nH]c(C)cc1C.Cc1cccc(-c2nc(C)c(C)[nH]2)n1.Cc1cccc(-c2ncc[nH]2)n1.Cc1ccccc1S(=O)(=O)NC(=O)c1ccccn1.O=C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccn1.O=C(NS(=O)(=O)C(F)(F)F)c1ccccn1.O=C(NS(=O)(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H18N2.C13H12N2O3S.C12H10N2O3S.C11H13N3.C10H5F9N2O3S.C9H9N3.C9H12N2O3S.C9H8N2.C7H5F3N2O3S/c1-8-6-10(3)15-13(8)12(5)14-9(2)7-11(4)16-14;1-10-6-2-3-8-12(10)19(17,18)15-13(16)11-7-4-5-9-14-11;15-12(11-8-4-5-9-13-11)14-18(16,17)10-6-2-1-3-7-10;1-7-5-4-6-10(12-7)11-13-8(2)9(3)14-11;11-7(12,9(15,16)17)8(13,14)10(18,19)25(23,24)21-6(22)5-3-1-2-4-20-5;1-7-3-2-4-8(12-7)9-10-5-6-11-9;1-7(2)15(13,14)11-9(12)8-5-3-4-6-10-8;1-3-8(10-5-1)7-9-4-2-6-11-9;8-7(9,10)16(14,15)12-6(13)5-3-1-2-4-11-5/h6-7,15H,1-5H3;2-9H,1H3,(H,15,16);1-9H,(H,14,15);4-6H,1-3H3,(H,13,14);1-4H,(H,21,22);2-6H,1H3,(H,10,11);3-7H,1-2H3,(H,11,12);1-7,10H;1-4H,(H,12,13)/b14-12-;;;;;;;9-7-;
InChIKeyHNMLKUKAMYCEBT-QHEVWGGISA-N
XLogP16.44
TPSA520.09 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002130.21
LogP ≤ 516.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (CID 158532047) is N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is C1=C/C(=C/c2ccc[nH]2)N=C1.CC(C)S(=O)(=O)NC(=O)c1ccccn1.CC1=CC(C)=N/C1=C(/C)c1[nH]c(C)cc1C.Cc1cccc(-c2nc(C)c(C)[nH]2)n1.Cc1cccc(-c2ncc[nH]2)n1.Cc1ccccc1S(=O)(=O)NC(=O)c1ccccn1.O=C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccn1.O=C(NS(=O)(=O)C(F)(F)F)c1ccccn1.O=C(NS(=O)(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The InChIKey is HNMLKUKAMYCEBT-QHEVWGGISA-N. The full InChI is InChI=1S/C14H18N2.C13H12N2O3S.C12H10N2O3S.C11H13N3.C10H5F9N2O3S.C9H9N3.C9H12N2O3S.C9H8N2.C7H5F3N2O3S/c1-8-6-10(3)15-13(8)12(5)14-9(2)7-11(4)16-14;1-10-6-2-3-8-12(10)19(17,18)15-13(16)11-7-4-5-9-14-11;15-12(11-8-4-5-9-13-11)14-18(16,17)10-6-2-1-3-7-10;1-7-5-4-6-10(12-7)11-13-8(2)9(3)14-11;11-7(12,9(15,16)17)8(13,14)10(18,19)25(23,24)21-6(22)5-3-1-2-4-20-5;1-7-3-2-4-8(12-7)9-10-5-6-11-9;1-7(2)15(13,14)11-9(12)8-5-3-4-6-10-8;1-3-8(10-5-1)7-9-4-2-6-11-9;8-7(9,10)16(14,15)12-6(13)5-3-1-2-4-11-5/h6-7,15H,1-5H3;2-9H,1H3,(H,15,16);1-9H,(H,14,15);4-6H,1-3H3,(H,13,14);1-4H,(H,21,22);2-6H,1H3,(H,10,11);3-7H,1-2H3,(H,11,12);1-7,10H;1-4H,(H,12,13)/b14-12-;;;;;;;9-7-;.
What are the key properties of N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide has a molecular weight of 2130.21 g/mol, XLogP of 16.44, 20 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)pyridine-2-carboxamide;2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)-6-methylpyridine;N-(2-methylphenyl)sulfonylpyridine-2-carboxamide;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide;N-propan-2-ylsulfonylpyridine-2-carboxamide;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 158532047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).