2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide

C19H22N6O3 — CID 175548530

IUPAC2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)Nc1cnc2c(c1)c(C(N)=O)c(N)n2-c1c(C)ccc(OC)c1C
InChIInChI=1S/C19H22N6O3/c1-9-5-6-13(28-4)10(2)15(9)25-16(20)14(17(21)26)12-7-11(8-23-18(12)25)24-19(27)22-3/h5-8H,20H2,1-4H3,(H2,21,26)(H2,22,24,27)
InChIKeySTXOJNUEOVCVEA-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.08
Rot. Bonds4

About 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 175548530) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID175548530
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)Nc1cnc2c(c1)c(C(N)=O)c(N)n2-c1c(C)ccc(OC)c1C
InChIInChI=1S/C19H22N6O3/c1-9-5-6-13(28-4)10(2)15(9)25-16(20)14(17(21)26)12-7-11(8-23-18(12)25)24-19(27)22-3/h5-8H,20H2,1-4H3,(H2,21,26)(H2,22,24,27)
InChIKeySTXOJNUEOVCVEA-UHFFFAOYSA-N
XLogP2.08
TPSA137.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide 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

2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557
2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869365
4-amino-3-(3-methoxy-2,6-dimethylphenyl)-1,3,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxamide
CID 172622120
11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238460
6-amino-3-bromo-5-(3-methoxy-2,6-dimethylphenyl)-2-(trideuteriomethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869631
7-acetyl-6-amino-5-(3-methoxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]pyrazin-2-one
CID 156869576
5-chloro-3-isocyano-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridin-2-amine
CID 176755299
6-amino-4-[2-(3-fluoro-4-pyridinyl)ethynyl]-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 172562905
4-amino-3-(3-methoxy-2,6-dimethylphenyl)-11-methyl-12-oxo-7-(trifluoromethyl)-3,8,11-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7-tetraene-5-carboxamide
CID 178110739
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166783590
[6-amino-7-carbamoyl-5-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-2-yl] trifluoromethanesulfonate
CID 166773278
methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate
CID 172558689

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 175548530) is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide is CNC(=O)Nc1cnc2c(c1)c(C(N)=O)c(N)n2-c1c(C)ccc(OC)c1C.
What is the InChIKey of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is STXOJNUEOVCVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-9-5-6-13(28-4)10(2)15(9)25-16(20)14(17(21)26)12-7-11(8-23-18(12)25)24-19(27)22-3/h5-8H,20H2,1-4H3,(H2,21,26)(H2,22,24,27).
What are the key properties of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 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-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 175548530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).