5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate

C57H69Cl5N8O16 — CID 159419793

About 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate

5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate (PubChem CID 159419793) has the molecular formula C57H69Cl5N8O16 and a molecular weight of 1299.48 g/mol. Its IUPAC name is 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate
• PubChem CID: 159419793
• Molecular Formula: C57H69Cl5N8O16
• Molecular Weight: 1299.48 g/mol
• Exact Mass: 1296.33
• IUPAC Name: 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)Cc1cnc(C(=O)O)c(Cl)c1.CCOC(=O)c1ncc(C(=O)O)cc1Cl.CCOC(=O)c1ncc(CC(=O)OC(C)(C)C)cc1Cl.CN(C)C(=O)c1ncc(CC(=O)OC(C)(C)C)cc1Cl.CN(C)C(=O)c1ncc(N)cc1Cl
• InChI: InChI=1S/C14H19ClN2O3.C14H18ClNO4.C12H14ClNO4.C9H8ClNO4.C8H10ClN3O/c1-14(2,3)20-11(18)7-9-6-10(15)12(16-8-9)13(19)17(4)5;1-5-19-13(18)12-10(15)6-9(8-16-12)7-11(17)20-14(2,3)4;1-12(2,3)18-9(15)5-7-4-8(13)10(11(16)17)14-6-7;1-2-15-9(14)7-6(10)3-5(4-11-7)8(12)13;1-12(2)8(13)7-6(9)3-5(10)4-11-7/h6,8H,7H2,1-5H3;6,8H,5,7H2,1-4H3;4,6H,5H2,1-3H3,(H,16,17);3-4H,2H2,1H3,(H,12,13);3-4H,10H2,1-2H3
• InChIKey: LPPSZXBNSADZGN-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 337.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1299.48
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate?

The IUPAC name of 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate (CID 159419793) is 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate.

What is the SMILES notation for 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate?

The canonical SMILES for 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate is CC(C)(C)OC(=O)Cc1cnc(C(=O)O)c(Cl)c1.CCOC(=O)c1ncc(C(=O)O)cc1Cl.CCOC(=O)c1ncc(CC(=O)OC(C)(C)C)cc1Cl.CN(C)C(=O)c1ncc(CC(=O)OC(C)(C)C)cc1Cl.CN(C)C(=O)c1ncc(N)cc1Cl.

What is the InChIKey of 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate?

The InChIKey is LPPSZXBNSADZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3.C14H18ClNO4.C12H14ClNO4.C9H8ClNO4.C8H10ClN3O/c1-14(2,3)20-11(18)7-9-6-10(15)12(16-8-9)13(19)17(4)5;1-5-19-13(18)12-10(15)6-9(8-16-12)7-11(17)20-14(2,3)4;1-12(2,3)18-9(15)5-7-4-8(13)10(11(16)17)14-6-7;1-2-15-9(14)7-6(10)3-5(4-11-7)8(12)13;1-12(2)8(13)7-6(9)3-5(10)4-11-7/h6,8H,7H2,1-5H3;6,8H,5,7H2,1-4H3;4,6H,5H2,1-3H3,(H,16,17);3-4H,2H2,1H3,(H,12,13);3-4H,10H2,1-2H3.

What are the key properties of 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate?

5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate has a molecular weight of 1299.48 g/mol, XLogP of 10.06, 14 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide;tert-butyl 2-[5-chloro-6-(dimethylcarbamoyl)-3-pyridinyl]acetate;5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid;3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylic acid;ethyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridine-2-carboxylate is sourced from PubChem (CID 159419793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).