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

C71H92N14O16 — CID 158849840

IUPACN,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine
SMILESC.C.C.CCO.CCOC(=O)C1(O)Cc2cccnc2N1C.CCOC(=O)c1cc2ccc(=O)[nH]c2[nH]1.CCOC(=O)c1cc2ccc(OC(C)=O)nc2[nH]1.CCOC(=O)c1cc2cccn(O)c-2n1.CCOC(=O)c1cc2cccnc2[nH]1.CNc1ncccc1C.Cc1cccnc1N
InChIInChI=1S/C12H12N2O4.C11H14N2O3.2C10H10N2O3.C10H10N2O2.C7H10N2.C6H8N2.C2H6O.3CH4/c1-3-17-12(16)9-6-8-4-5-10(18-7(2)15)14-11(8)13-9;1-3-16-10(14)11(15)7-8-5-4-6-12-9(8)13(11)2;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;;;/h4-6H,3H2,1-2H3,(H,13,14);4-6,15H,3,7H2,1-2H3;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;3*1H4
InChIKeyZJNLGIHHQDLQLL-UHFFFAOYSA-N
MW1397.60 g/mol
LogP10.48
Rot. Bonds12

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

N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine (PubChem CID 158849840) has the molecular formula C71H92N14O16 and a molecular weight of 1397.60 g/mol. Its IUPAC name is N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine.

Molecular Properties

Compound NameN,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine
PubChem CID158849840
Molecular FormulaC71H92N14O16
Molecular Weight1397.60 g/mol
Exact Mass1396.68
IUPAC NameN,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine
SMILESC.C.C.CCO.CCOC(=O)C1(O)Cc2cccnc2N1C.CCOC(=O)c1cc2ccc(=O)[nH]c2[nH]1.CCOC(=O)c1cc2ccc(OC(C)=O)nc2[nH]1.CCOC(=O)c1cc2cccn(O)c-2n1.CCOC(=O)c1cc2cccnc2[nH]1.CNc1ncccc1C.Cc1cccnc1N
InChIInChI=1S/C12H12N2O4.C11H14N2O3.2C10H10N2O3.C10H10N2O2.C7H10N2.C6H8N2.C2H6O.3CH4/c1-3-17-12(16)9-6-8-4-5-10(18-7(2)15)14-11(8)13-9;1-3-16-10(14)11(15)7-8-5-4-6-12-9(8)13(11)2;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;;;/h4-6H,3H2,1-2H3,(H,13,14);4-6,15H,3,7H2,1-2H3;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;3*1H4
InChIKeyZJNLGIHHQDLQLL-UHFFFAOYSA-N
XLogP10.48
TPSA422.28 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms101
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001397.60
LogP ≤ 510.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine?
The IUPAC name of N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine (CID 158849840) is N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine.
What is the SMILES notation for N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine?
The canonical SMILES for N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine is C.C.C.CCO.CCOC(=O)C1(O)Cc2cccnc2N1C.CCOC(=O)c1cc2ccc(=O)[nH]c2[nH]1.CCOC(=O)c1cc2ccc(OC(C)=O)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 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine?
The InChIKey is ZJNLGIHHQDLQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4.C11H14N2O3.2C10H10N2O3.C10H10N2O2.C7H10N2.C6H8N2.C2H6O.3CH4/c1-3-17-12(16)9-6-8-4-5-10(18-7(2)15)14-11(8)13-9;1-3-16-10(14)11(15)7-8-5-4-6-12-9(8)13(11)2;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;;;/h4-6H,3H2,1-2H3,(H,13,14);4-6,15H,3,7H2,1-2H3;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;3*1H4.
What are the key properties of N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine?
N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine has a molecular weight of 1397.60 g/mol, XLogP of 10.48, 12 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpyridin-2-amine;ethanol;ethyl 6-acetyloxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[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;methane;3-methylpyridin-2-amine is sourced from PubChem (CID 158849840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).