5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

C117H113F7N22O18S4 — CID 161288480

IUPAC5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
SMILESCC(=O)Cc1cc(-c2cnc(F)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)c(F)cn1.CC(=O)Nc1cc(-c2cnc(N(C)C)c(C(=O)N(C)C)c2)ccn1.CNc1ncc(-c2ccnc(NC(C)=O)c2)cc1C(=O)NC12CC(C1)C2.COc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(CC(C)=O)c3)cnc2C)c(F)c1.COc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(CC(C)=O)c3)cnc2C)cc1
InChIInChI=1S/C21H20FN3O4S.C21H21N3O4S.C20H16F3N3O3S.C19H14F3N3O3S.C19H21N5O2.C17H21N5O2/c1-13(26)8-17-9-15(6-7-23-17)16-10-20(14(2)24-12-16)25-30(27,28)21-5-4-18(29-3)11-19(21)22;1-14(25)10-18-11-16(8-9-22-18)17-12-21(15(2)23-13-17)24-29(26,27)20-6-4-19(28-3)5-7-20;1-11-14(10-30(28,29)19-4-3-15(21)6-17(19)22)5-13(8-24-11)16-7-20(26-12(2)27)25-9-18(16)23;1-11(26)6-15-7-12(4-5-23-15)13-8-17(19(22)24-10-13)25-29(27,28)18-3-2-14(20)9-16(18)21;1-11(25)23-16-6-13(3-4-21-16)14-5-15(17(20-2)22-10-14)18(26)24-19-7-12(8-19)9-19;1-11(23)20-15-9-12(6-7-18-15)13-8-14(17(24)22(4)5)16(19-10-13)21(2)3/h4-7,9-12,25H,8H2,1-3H3;4-9,11-13,24H,10H2,1-3H3;3-9H,10H2,1-2H3,(H,25,26,27);2-5,7-10,25H,6H2,1H3;3-6,10,12H,7-9H2,1-2H3,(H,20,22)(H,24,26)(H,21,23,25);6-10H,1-5H3,(H,18,20,23)
InChIKeyVGAOFPNSWMGXBS-UHFFFAOYSA-N
MW2376.58 g/mol
LogP18.52
Rot. Bonds34

About 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 161288480) has the molecular formula C117H113F7N22O18S4 and a molecular weight of 2376.58 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
PubChem CID161288480
Molecular FormulaC117H113F7N22O18S4
Molecular Weight2376.58 g/mol
Exact Mass2374.74
IUPAC Name5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
SMILESCC(=O)Cc1cc(-c2cnc(F)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)c(F)cn1.CC(=O)Nc1cc(-c2cnc(N(C)C)c(C(=O)N(C)C)c2)ccn1.CNc1ncc(-c2ccnc(NC(C)=O)c2)cc1C(=O)NC12CC(C1)C2.COc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(CC(C)=O)c3)cnc2C)c(F)c1.COc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(CC(C)=O)c3)cnc2C)cc1
InChIInChI=1S/C21H20FN3O4S.C21H21N3O4S.C20H16F3N3O3S.C19H14F3N3O3S.C19H21N5O2.C17H21N5O2/c1-13(26)8-17-9-15(6-7-23-17)16-10-20(14(2)24-12-16)25-30(27,28)21-5-4-18(29-3)11-19(21)22;1-14(25)10-18-11-16(8-9-22-18)17-12-21(15(2)23-13-17)24-29(26,27)20-6-4-19(28-3)5-7-20;1-11-14(10-30(28,29)19-4-3-15(21)6-17(19)22)5-13(8-24-11)16-7-20(26-12(2)27)25-9-18(16)23;1-11(26)6-15-7-12(4-5-23-15)13-8-17(19(22)24-10-13)25-29(27,28)18-3-2-14(20)9-16(18)21;1-11(25)23-16-6-13(3-4-21-16)14-5-15(17(20-2)22-10-14)18(26)24-19-7-12(8-19)9-19;1-11(23)20-15-9-12(6-7-18-15)13-8-14(17(24)22(4)5)16(19-10-13)21(2)3/h4-7,9-12,25H,8H2,1-3H3;4-9,11-13,24H,10H2,1-3H3;3-9H,10H2,1-2H3,(H,25,26,27);2-5,7-10,25H,6H2,1H3;3-6,10,12H,7-9H2,1-2H3,(H,20,22)(H,24,26)(H,21,23,25);6-10H,1-5H3,(H,18,20,23)
InChIKeyVGAOFPNSWMGXBS-UHFFFAOYSA-N
XLogP18.52
TPSA548.98 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002376.58
LogP ≤ 518.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (CID 161288480) is 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is CC(=O)Cc1cc(-c2cnc(F)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)c(F)cn1.CC(=O)Nc1cc(-c2cnc(N(C)C)c(C(=O)N(C)C)c2)ccn1.CNc1ncc(-c2ccnc(NC(C)=O)c2)cc1C(=O)NC12CC(C1)C2.COc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(CC(C)=O)c3)cnc2C)c(F)c1.COc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(CC(C)=O)c3)cnc2C)cc1.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is VGAOFPNSWMGXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S.C21H21N3O4S.C20H16F3N3O3S.C19H14F3N3O3S.C19H21N5O2.C17H21N5O2/c1-13(26)8-17-9-15(6-7-23-17)16-10-20(14(2)24-12-16)25-30(27,28)21-5-4-18(29-3)11-19(21)22;1-14(25)10-18-11-16(8-9-22-18)17-12-21(15(2)23-13-17)24-29(26,27)20-6-4-19(28-3)5-7-20;1-11-14(10-30(28,29)19-4-3-15(21)6-17(19)22)5-13(8-24-11)16-7-20(26-12(2)27)25-9-18(16)23;1-11(26)6-15-7-12(4-5-23-15)13-8-17(19(22)24-10-13)25-29(27,28)18-3-2-14(20)9-16(18)21;1-11(25)23-16-6-13(3-4-21-16)14-5-15(17(20-2)22-10-14)18(26)24-19-7-12(8-19)9-19;1-11(23)20-15-9-12(6-7-18-15)13-8-14(17(24)22(4)5)16(19-10-13)21(2)3/h4-7,9-12,25H,8H2,1-3H3;4-9,11-13,24H,10H2,1-3H3;3-9H,10H2,1-2H3,(H,25,26,27);2-5,7-10,25H,6H2,1H3;3-6,10,12H,7-9H2,1-2H3,(H,20,22)(H,24,26)(H,21,23,25);6-10H,1-5H3,(H,18,20,23).
What are the key properties of 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 2376.58 g/mol, XLogP of 18.52, 34 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)pyridine-3-carboxamide;5-(2-acetamido-4-pyridinyl)-2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide;2,4-difluoro-N-[2-fluoro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]acetamide;2-fluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 161288480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).