5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one

C108H108F10N24O16 — CID 157199903

About 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one

5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one (PubChem CID 157199903) has the molecular formula C108H108F10N24O16 and a molecular weight of 2188.18 g/mol. Its IUPAC name is 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one.

Molecular Properties

• Compound Name: 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one
• PubChem CID: 157199903
• Molecular Formula: C108H108F10N24O16
• Molecular Weight: 2188.18 g/mol
• Exact Mass: 2186.82
• IUPAC Name: 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one
• SMILES: CCCC.Nc1c(F)cccc1F.Nc1ccc(C(=O)O)nc1.O=C(O)c1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C2CCCCC2)cn1.O=C(O)c1ccc(NC2CCCCC2)cn1.O=C(OCc1ccccc1)c1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C2CCCCC2)cn1.O=C(OCc1ccccc1)c1ccc(NC2CCCCC2)cn1.O=C=Nc1c(F)cccc1F.O=c1[nH]nnn1-c1c(F)cccc1F
• InChI: InChI=1S/C27H24F2N6O4.C20H18F2N6O4.C19H22N2O2.C12H16N2O2.C7H4F2N4O.C7H3F2NO.C6H5F2N.C6H6N2O2.C4H10/c28-21-12-7-13-22(29)24(21)34-27(38)35(32-31-34)26(37)33(19-10-5-2-6-11-19)20-14-15-23(30-16-20)25(36)39-17-18-8-3-1-4-9-18;21-14-7-4-8-15(22)17(14)27-20(32)28(25-24-27)19(31)26(12-5-2-1-3-6-12)13-9-10-16(18(29)30)23-11-13;22-19(23-14-15-7-3-1-4-8-15)18-12-11-17(13-20-18)21-16-9-5-2-6-10-16;15-12(16)11-7-6-10(8-13-11)14-9-4-2-1-3-5-9;8-4-2-1-3-5(9)6(4)13-7(14)10-11-12-13;8-5-2-1-3-6(9)7(5)10-4-11;7-4-2-1-3-5(8)6(4)9;7-4-1-2-5(6(9)10)8-3-4;1-3-4-2/h1,3-4,7-9,12-16,19H,2,5-6,10-11,17H2;4,7-12H,1-3,5-6H2,(H,29,30);1,3-4,7-8,11-13,16,21H,2,5-6,9-10,14H2;6-9,14H,1-5H2,(H,15,16);1-3H,(H,10,12,14);1-3H;1-3H,9H2;1-3H,7H2,(H,9,10);3-4H2,1-2H3
• InChIKey: AQRHMCDAEFADGT-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 544.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2188.18
LogP ≤ 5	19.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'amidotetrazole', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one?

The IUPAC name of 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one (CID 157199903) is 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one.

What is the SMILES notation for 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one?

The canonical SMILES for 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one is CCCC.Nc1c(F)cccc1F.Nc1ccc(C(=O)O)nc1.O=C(O)c1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C2CCCCC2)cn1.O=C(O)c1ccc(NC2CCCCC2)cn1.O=C(OCc1ccccc1)c1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C2CCCCC2)cn1.O=C(OCc1ccccc1)c1ccc(NC2CCCCC2)cn1.O=C=Nc1c(F)cccc1F.O=c1[nH]nnn1-c1c(F)cccc1F.

What is the InChIKey of 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one?

The InChIKey is AQRHMCDAEFADGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6O4.C20H18F2N6O4.C19H22N2O2.C12H16N2O2.C7H4F2N4O.C7H3F2NO.C6H5F2N.C6H6N2O2.C4H10/c28-21-12-7-13-22(29)24(21)34-27(38)35(32-31-34)26(37)33(19-10-5-2-6-11-19)20-14-15-23(30-16-20)25(36)39-17-18-8-3-1-4-9-18;21-14-7-4-8-15(22)17(14)27-20(32)28(25-24-27)19(31)26(12-5-2-1-3-6-12)13-9-10-16(18(29)30)23-11-13;22-19(23-14-15-7-3-1-4-8-15)18-12-11-17(13-20-18)21-16-9-5-2-6-10-16;15-12(16)11-7-6-10(8-13-11)14-9-4-2-1-3-5-9;8-4-2-1-3-5(9)6(4)13-7(14)10-11-12-13;8-5-2-1-3-6(9)7(5)10-4-11;7-4-2-1-3-5(8)6(4)9;7-4-1-2-5(6(9)10)8-3-4;1-3-4-2/h1,3-4,7-9,12-16,19H,2,5-6,10-11,17H2;4,7-12H,1-3,5-6H2,(H,29,30);1,3-4,7-8,11-13,16,21H,2,5-6,9-10,14H2;6-9,14H,1-5H2,(H,15,16);1-3H,(H,10,12,14);1-3H;1-3H,9H2;1-3H,7H2,(H,9,10);3-4H2,1-2H3.

What are the key properties of 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one?

5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one has a molecular weight of 2188.18 g/mol, XLogP of 19.46, 22 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-aminopyridine-2-carboxylic acid;benzyl 5-(cyclohexylamino)pyridine-2-carboxylate;benzyl 5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylate;butane;5-(cyclohexylamino)pyridine-2-carboxylic acid;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]pyridine-2-carboxylic acid;2,6-difluoroaniline;1,3-difluoro-2-isocyanatobenzene;4-(2,6-difluorophenyl)-1H-tetrazol-5-one is sourced from PubChem (CID 157199903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).