(2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C₃₃H₃₈N₈O₈ — CID 162262905

About (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate

(2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 162262905) has the molecular formula C₃₃H₃₈N₈O₈ and a molecular weight of 674.72 g/mol. Its IUPAC name is (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
• PubChem CID: 162262905
• Molecular Formula: C₃₃H₃₈N₈O₈
• Molecular Weight: 674.72 g/mol
• Exact Mass: 674.28
• IUPAC Name: (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)N1c2ncccc2C[C@@H]1C(=O)O.CNC(=O)[C@H]1Cc2cccnc2N1C(=O)NC.COC(=O)c1cc2cccnc2[nH]1
• InChI: InChI=1S/C13H16N2O4.C11H14N4O2.C9H8N2O2/c1-13(2,3)19-12(18)15-9(11(16)17)7-8-5-4-6-14-10(8)15;1-12-10(16)8-6-7-4-3-5-14-9(7)15(8)11(17)13-2;1-13-9(12)7-5-6-3-2-4-10-8(6)11-7/h4-6,9H,7H2,1-3H3,(H,16,17);3-5,8H,6H2,1-2H3,(H,12,16)(H,13,17);2-5H,1H3,(H,10,11)/t9-;8-;/m11./s1
• InChIKey: ZZMMUPXRRSJRIF-VOWNYPQQSA-N
• XLogP: 3.08
• TPSA: 209.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	674.72
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate?

The IUPAC name of (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 162262905) is (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

What is the SMILES notation for (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate?

The canonical SMILES for (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate is CC(C)(C)OC(=O)N1c2ncccc2C[C@@H]1C(=O)O.CNC(=O)[C@H]1Cc2cccnc2N1C(=O)NC.COC(=O)c1cc2cccnc2[nH]1.

What is the InChIKey of (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate?

The InChIKey is ZZMMUPXRRSJRIF-VOWNYPQQSA-N. The full InChI is InChI=1S/C13H16N2O4.C11H14N4O2.C9H8N2O2/c1-13(2,3)19-12(18)15-9(11(16)17)7-8-5-4-6-14-10(8)15;1-12-10(16)8-6-7-4-3-5-14-9(7)15(8)11(17)13-2;1-13-9(12)7-5-6-3-2-4-10-8(6)11-7/h4-6,9H,7H2,1-3H3,(H,16,17);3-5,8H,6H2,1-2H3,(H,12,16)(H,13,17);2-5H,1H3,(H,10,11)/t9-;8-;/m11./s1.

What are the key properties of (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate?

(2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 674.72 g/mol, XLogP of 3.08, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-N,2-N-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxamide;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 162262905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162262905 — identifiers, structure, computed properties (public domain)

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