N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine

C67H80N14O14 — CID 157445974

About N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine

N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine (PubChem CID 157445974) has the molecular formula C67H80N14O14 and a molecular weight of 1305.46 g/mol. Its IUPAC name is N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine.

Molecular Properties

• Compound Name: N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine
• PubChem CID: 157445974
• Molecular Formula: C67H80N14O14
• Molecular Weight: 1305.46 g/mol
• Exact Mass: 1304.60
• IUPAC Name: N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine
• SMILES: CCO.CCOC(=O)C1(O)Cc2cccnc2N1C.CCOC(=O)c1cc2ccc(=O)[nH]c2[nH]1.CCOC(=O)c1cc2ccc(C)nc2[nH]1.CCOC(=O)c1cc2cccn(O)c-2n1.CCOC(=O)c1cc2cccnc2[nH]1.CNc1ncccc1C.Cc1cccnc1N
• InChI: InChI=1S/C11H14N2O3.C11H12N2O2.2C10H10N2O3.C10H10N2O2.C7H10N2.C6H8N2.C2H6O/c1-3-16-10(14)11(15)7-8-5-4-6-12-9(8)13(11)2;1-3-15-11(14)9-6-8-5-4-7(2)12-10(8)13-9;1-2-15-10(14)7-5-6-3-4-8(13)12-9(6)11-7;1-2-15-10(13)8-6-7-4-3-5-12(14)9(7)11-8;1-2-14-10(13)8-6-7-4-3-5-11-9(7)12-8;1-6-4-3-5-9-7(6)8-2;1-5-3-2-4-8-6(5)7;1-2-3/h4-6,15H,3,7H2,1-2H3;4-6H,3H2,1-2H3,(H,12,13);3-5H,2H2,1H3,(H2,11,12,13);3-6,14H,2H2,1H3;3-6H,2H2,1H3,(H,11,12);3-5H,1-2H3,(H,8,9);2-4H,1H3,(H2,7,8);3H,2H2,1H3
• InChIKey: UMIRAWTWUUSVDP-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 395.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1305.46
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine?

The IUPAC name of N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine (CID 157445974) is N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine.

What is the SMILES notation for N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine?

The canonical SMILES for N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine is CCO.CCOC(=O)C1(O)Cc2cccnc2N1C.CCOC(=O)c1cc2ccc(=O)[nH]c2[nH]1.CCOC(=O)c1cc2ccc(C)nc2[nH]1.CCOC(=O)c1cc2cccn(O)c-2n1.CCOC(=O)c1cc2cccnc2[nH]1.CNc1ncccc1C.Cc1cccnc1N.

What is the InChIKey of N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine?

The InChIKey is UMIRAWTWUUSVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.C11H12N2O2.2C10H10N2O3.C10H10N2O2.C7H10N2.C6H8N2.C2H6O/c1-3-16-10(14)11(15)7-8-5-4-6-12-9(8)13(11)2;1-3-15-11(14)9-6-8-5-4-7(2)12-10(8)13-9;1-2-15-10(14)7-5-6-3-4-8(13)12-9(6)11-7;1-2-15-10(13)8-6-7-4-3-5-12(14)9(7)11-8;1-2-14-10(13)8-6-7-4-3-5-11-9(7)12-8;1-6-4-3-5-9-7(6)8-2;1-5-3-2-4-8-6(5)7;1-2-3/h4-6,15H,3,7H2,1-2H3;4-6H,3H2,1-2H3,(H,12,13);3-5H,2H2,1H3,(H2,11,12,13);3-6,14H,2H2,1H3;3-6H,2H2,1H3,(H,11,12);3-5H,1-2H3,(H,8,9);2-4H,1H3,(H2,7,8);3H,2H2,1H3.

What are the key properties of N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine?

N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine has a molecular weight of 1305.46 g/mol, XLogP of 8.95, 11 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine is sourced from PubChem (CID 157445974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).