4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate

C111H123N31O15S2 — CID 157087942

About 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate

4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate (PubChem CID 157087942) has the molecular formula C111H123N31O15S2 and a molecular weight of 2195.54 g/mol. Its IUPAC name is 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate.

Molecular Properties

• Compound Name: 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate
• PubChem CID: 157087942
• Molecular Formula: C111H123N31O15S2
• Molecular Weight: 2195.54 g/mol
• Exact Mass: 2193.93
• IUPAC Name: 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate
• SMILES: CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C(=O)NC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CSNC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2)nn1.CCNC(=O)Nc1cnc(C(=O)Nc2cccnc2)c(Nc2ccccc2)n1.O.O
• InChI: InChI=1S/C26H30N6O4S.C23H24N6O3.C23H26N6O2S.C20H20N6O2.C19H19N7O2.2H2O/c1-2-27-26(34)31-24-16-23(29-20-6-4-3-5-7-20)22(17-28-24)25(33)30-21-10-8-19(9-11-21)18-32-12-14-37(35,36)15-13-32;1-3-25-23(32)29-20-13-19(27-16-7-5-4-6-8-16)18(14-26-20)22(31)28-17-11-9-15(10-12-17)21(30)24-2;1-3-25-23(31)29-21-13-20(27-17-7-5-4-6-8-17)19(14-26-21)22(30)28-18-11-9-16(10-12-18)15-32-24-2;1-2-21-20(28)24-17-13-16(22-14-9-5-3-6-10-14)18(26-25-17)19(27)23-15-11-7-4-8-12-15;1-2-21-19(28)26-15-12-22-16(18(27)24-14-9-6-10-20-11-14)17(25-15)23-13-7-4-3-5-8-13;;/h3-11,16-17H,2,12-15,18H2,1H3,(H,30,33)(H3,27,28,29,31,34);4-14H,3H2,1-2H3,(H,24,30)(H,28,31)(H3,25,26,27,29,32);4-14,24H,3,15H2,1-2H3,(H,28,30)(H3,25,26,27,29,31);3-13H,2H2,1H3,(H,23,27)(H3,21,22,24,25,28);3-12H,2H2,1H3,(H,24,27)(H3,21,23,25,26,28);2*1H2
• InChIKey: BAVIKVXYACKRBL-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 655.93 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.54
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate?

The IUPAC name of 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate (CID 157087942) is 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate.

What is the SMILES notation for 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate?

The canonical SMILES for 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C(=O)NC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CSNC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2)nn1.CCNC(=O)Nc1cnc(C(=O)Nc2cccnc2)c(Nc2ccccc2)n1.O.O.

What is the InChIKey of 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate?

The InChIKey is BAVIKVXYACKRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S.C23H24N6O3.C23H26N6O2S.C20H20N6O2.C19H19N7O2.2H2O/c1-2-27-26(34)31-24-16-23(29-20-6-4-3-5-7-20)22(17-28-24)25(33)30-21-10-8-19(9-11-21)18-32-12-14-37(35,36)15-13-32;1-3-25-23(32)29-20-13-19(27-16-7-5-4-6-8-16)18(14-26-20)22(31)28-17-11-9-15(10-12-17)21(30)24-2;1-3-25-23(31)29-21-13-20(27-17-7-5-4-6-8-17)19(14-26-21)22(30)28-18-11-9-16(10-12-18)15-32-24-2;1-2-21-20(28)24-17-13-16(22-14-9-5-3-6-10-14)18(26-25-17)19(27)23-15-11-7-4-8-12-15;1-2-21-19(28)26-15-12-22-16(18(27)24-14-9-6-10-20-11-14)17(25-15)23-13-7-4-3-5-8-13;;/h3-11,16-17H,2,12-15,18H2,1H3,(H,30,33)(H3,27,28,29,31,34);4-14H,3H2,1-2H3,(H,24,30)(H,28,31)(H3,25,26,27,29,32);4-14,24H,3,15H2,1-2H3,(H,28,30)(H3,25,26,27,29,31);3-13H,2H2,1H3,(H,23,27)(H3,21,22,24,25,28);3-12H,2H2,1H3,(H,24,27)(H3,21,23,25,26,28);2*1H2.

What are the key properties of 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate?

4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate has a molecular weight of 2195.54 g/mol, XLogP of 16.59, 36 rotatable bonds, 22 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate is sourced from PubChem (CID 157087942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).