5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine

C85H113N24O21S2+ — CID 164954439

About 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine

5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine (PubChem CID 164954439) has the molecular formula C85H113N24O21S2+ and a molecular weight of 1871.12 g/mol. Its IUPAC name is 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine
• PubChem CID: 164954439
• Molecular Formula: C85H113N24O21S2+
• Molecular Weight: 1871.12 g/mol
• Exact Mass: 1869.79
• IUPAC Name: 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine
• SMILES: C.C.C.C=[O+]c1ncc(NC(=O)C(=O)O)cc1C(N)=O.CC1CCC(c2ccc(N)nc2)NC1.COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc(N)nc2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc(NS(C)(=O)=O)nc2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NS(C)(=O)=O)nc2)cc1C(N)=O
• InChI: InChI=1S/2C21H26N6O6S.C20H24N6O4.C11H17N3.C9H7N3O5.3CH4/c2*1-12-4-6-16(13-5-7-17(23-9-13)26-34(3,31)32)27(11-12)21(30)19(29)25-14-8-15(18(22)28)20(33-2)24-10-14;1-11-3-5-15(12-4-6-16(21)23-8-12)26(10-11)20(29)18(28)25-13-7-14(17(22)27)19(30-2)24-9-13;1-8-2-4-10(13-6-8)9-3-5-11(12)14-7-9;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16;;;/h2*5,7-10,12,16H,4,6,11H2,1-3H3,(H2,22,28)(H,23,26)(H,25,29);4,6-9,11,15H,3,5,10H2,1-2H3,(H2,21,23)(H2,22,27)(H,25,28);3,5,7-8,10,13H,2,4,6H2,1H3,(H2,12,14);2-3H,1H2,(H3-,10,12,13,14,15,16);3*1H4/p+1/t12-,16+;;;;;;;/m1......./s1
• InChIKey: AZCDVAPAOOCKAF-DZQXUNSXSA-O
• XLogP: 5.81
• TPSA: 685.51 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.12
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine?

The IUPAC name of 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine (CID 164954439) is 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine.

What is the SMILES notation for 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine?

The canonical SMILES for 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine is C.C.C.C=[O+]c1ncc(NC(=O)C(=O)O)cc1C(N)=O.CC1CCC(c2ccc(N)nc2)NC1.COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc(N)nc2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc(NS(C)(=O)=O)nc2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NS(C)(=O)=O)nc2)cc1C(N)=O.

What is the InChIKey of 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine?

The InChIKey is AZCDVAPAOOCKAF-DZQXUNSXSA-O. The full InChI is InChI=1S/2C21H26N6O6S.C20H24N6O4.C11H17N3.C9H7N3O5.3CH4/c2*1-12-4-6-16(13-5-7-17(23-9-13)26-34(3,31)32)27(11-12)21(30)19(29)25-14-8-15(18(22)28)20(33-2)24-10-14;1-11-3-5-15(12-4-6-16(21)23-8-12)26(10-11)20(29)18(28)25-13-7-14(17(22)27)19(30-2)24-9-13;1-8-2-4-10(13-6-8)9-3-5-11(12)14-7-9;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16;;;/h2*5,7-10,12,16H,4,6,11H2,1-3H3,(H2,22,28)(H,23,26)(H,25,29);4,6-9,11,15H,3,5,10H2,1-2H3,(H2,21,23)(H2,22,27)(H,25,28);3,5,7-8,10,13H,2,4,6H2,1H3,(H2,12,14);2-3H,1H2,(H3-,10,12,13,14,15,16);3*1H4/p+1/t12-,16+;;;;;;;/m1......./s1.

What are the key properties of 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine?

5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine has a molecular weight of 1871.12 g/mol, XLogP of 5.81, 20 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[2-(6-amino-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;[3-carbamoyl-5-(oxaloamino)-2-pyridinyl]-methylideneoxidanium;methane;5-[[2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-(5-methylpiperidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 164954439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).