2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine

C20H26N4O2 — CID 171812009

IUPAC2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine
SMILESCN.COc1ccc(C)c(-n2c(N)c(C=O)c3cc(C)c(C)nc32)c1C
InChIInChI=1S/C19H21N3O2.CH5N/c1-10-6-7-16(24-5)12(3)17(10)22-18(20)15(9-23)14-8-11(2)13(4)21-19(14)22;1-2/h6-9H,20H2,1-5H3;2H2,1H3
InChIKeyCENSXPDSNUKMGX-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.24
Rot. Bonds3

About 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine

2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine (PubChem CID 171812009) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine.

Molecular Properties

Compound Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine
PubChem CID171812009
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine
SMILESCN.COc1ccc(C)c(-n2c(N)c(C=O)c3cc(C)c(C)nc32)c1C
InChIInChI=1S/C19H21N3O2.CH5N/c1-10-6-7-16(24-5)12(3)17(10)22-18(20)15(9-23)14-8-11(2)13(4)21-19(14)22;1-2/h6-9H,20H2,1-5H3;2H2,1H3
InChIKeyCENSXPDSNUKMGX-UHFFFAOYSA-N
XLogP3.24
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869365
ethyl 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxylate
CID 175942107
6-amino-2-bromo-7-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 170638237
6-amino-7-(3-methoxy-2,6-dimethylphenyl)-2,4-dimethylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 170638125
[5-amino-3-cyano-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]carbamic acid
CID 166773279
6-amino-7-(3-methoxy-2,6-dimethylphenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 172625986
2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 168731126
4-amino-3-(3-methoxy-2,6-dimethylphenyl)-7,10-dimethyl-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-5-carboxamide
CID 178111158
5-chloro-3-isocyano-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridin-2-amine
CID 176755299
6-amino-3-bromo-5-(3-methoxy-2,6-dimethylphenyl)-2-(trideuteriomethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869631
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 175548530
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine?
The IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine (CID 171812009) is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine.
What is the SMILES notation for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine?
The canonical SMILES for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine is CN.COc1ccc(C)c(-n2c(N)c(C=O)c3cc(C)c(C)nc32)c1C.
What is the InChIKey of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine?
The InChIKey is CENSXPDSNUKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.CH5N/c1-10-6-7-16(24-5)12(3)17(10)22-18(20)15(9-23)14-8-11(2)13(4)21-19(14)22;1-2/h6-9H,20H2,1-5H3;2H2,1H3.
What are the key properties of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine?
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine has a molecular weight of 354.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine is sourced from PubChem (CID 171812009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).