N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide

C125H220N26O11S2 — CID 157086339

About N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide

N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 157086339) has the molecular formula C125H220N26O11S2 and a molecular weight of 2327.44 g/mol. Its IUPAC name is N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide
• PubChem CID: 157086339
• Molecular Formula: C125H220N26O11S2
• Molecular Weight: 2327.44 g/mol
• Exact Mass: 2325.69
• IUPAC Name: N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide
• SMILES: CC(C)CNc1ccc(C(=O)NCCCCN)cn1.NCCC1CCN(c2cnc(C(=O)NCCC3CCCCC3)cn2)CC1.NCCCCCCN1C(C(=O)NCCC2CCCCC2)CCS1(=O)=O.NCCCCCCNC(=O)C1CCS(=O)(=O)N1CCC1CCCCC1.NCCCCCCNC(=O)c1cccn1CC1CCCCC1.NCCCCCCn1cccc1C(=O)NCC1CCCCC1.O=C(NCCC1CCNCC1)c1cnc(NCC2CCCCC2)cn1
• InChI: InChI=1S/C20H33N5O.C19H31N5O.2C18H35N3O3S.2C18H31N3O.C14H24N4O/c21-10-6-17-8-12-25(13-9-17)19-15-23-18(14-24-19)20(26)22-11-7-16-4-2-1-3-5-16;25-19(21-11-8-15-6-9-20-10-7-15)17-13-24-18(14-22-17)23-12-16-4-2-1-3-5-16;19-12-6-1-2-7-14-21-17(11-15-25(21,23)24)18(22)20-13-10-16-8-4-3-5-9-16;19-12-6-1-2-7-13-20-18(22)17-11-15-25(23,24)21(17)14-10-16-8-4-3-5-9-16;19-12-6-1-2-7-13-21-14-8-11-17(21)18(22)20-15-16-9-4-3-5-10-16;19-12-6-1-2-7-13-20-18(22)17-11-8-14-21(17)15-16-9-4-3-5-10-16;1-11(2)9-17-13-6-5-12(10-18-13)14(19)16-8-4-3-7-15/h14-17H,1-13,21H2,(H,22,26);13-16,20H,1-12H2,(H,21,25)(H,23,24);2*16-17H,1-15,19H2,(H,20,22);2*8,11,14,16H,1-7,9-10,12-13,15,19H2,(H,20,22);5-6,10-11H,3-4,7-9,15H2,1-2H3,(H,16,19)(H,17,18)
• InChIKey: AECYQTCOXPKUJN-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 548.22 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 60
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2327.44
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide?

The IUPAC name of N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide (CID 157086339) is N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide?

The canonical SMILES for N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide is CC(C)CNc1ccc(C(=O)NCCCCN)cn1.NCCC1CCN(c2cnc(C(=O)NCCC3CCCCC3)cn2)CC1.NCCCCCCN1C(C(=O)NCCC2CCCCC2)CCS1(=O)=O.NCCCCCCNC(=O)C1CCS(=O)(=O)N1CCC1CCCCC1.NCCCCCCNC(=O)c1cccn1CC1CCCCC1.NCCCCCCn1cccc1C(=O)NCC1CCCCC1.O=C(NCCC1CCNCC1)c1cnc(NCC2CCCCC2)cn1.

What is the InChIKey of N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide?

The InChIKey is AECYQTCOXPKUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O.C19H31N5O.2C18H35N3O3S.2C18H31N3O.C14H24N4O/c21-10-6-17-8-12-25(13-9-17)19-15-23-18(14-24-19)20(26)22-11-7-16-4-2-1-3-5-16;25-19(21-11-8-15-6-9-20-10-7-15)17-13-24-18(14-22-17)23-12-16-4-2-1-3-5-16;19-12-6-1-2-7-14-21-17(11-15-25(21,23)24)18(22)20-13-10-16-8-4-3-5-9-16;19-12-6-1-2-7-13-20-18(22)17-11-15-25(23,24)21(17)14-10-16-8-4-3-5-9-16;19-12-6-1-2-7-13-21-14-8-11-17(21)18(22)20-15-16-9-4-3-5-10-16;19-12-6-1-2-7-13-20-18(22)17-11-8-14-21(17)15-16-9-4-3-5-10-16;1-11(2)9-17-13-6-5-12(10-18-13)14(19)16-8-4-3-7-15/h14-17H,1-13,21H2,(H,22,26);13-16,20H,1-12H2,(H,21,25)(H,23,24);2*16-17H,1-15,19H2,(H,20,22);2*8,11,14,16H,1-7,9-10,12-13,15,19H2,(H,20,22);5-6,10-11H,3-4,7-9,15H2,1-2H3,(H,16,19)(H,17,18).

What are the key properties of N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide?

N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 2327.44 g/mol, XLogP of 17.58, 60 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 157086339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).