1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid

C10H11N3O2 — CID 84673098

IUPAC1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCNc1ccnc2c1c(C(=O)O)cn2C
InChIInChI=1S/C10H11N3O2/c1-11-7-3-4-12-9-8(7)6(10(14)15)5-13(9)2/h3-5H,1-2H3,(H,11,12)(H,14,15)
InChIKeyKHUPZKJSWLICLH-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.31
Rot. Bonds2

About 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid

1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 84673098) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID84673098
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCNc1ccnc2c1c(C(=O)O)cn2C
InChIInChI=1S/C10H11N3O2/c1-11-7-3-4-12-9-8(7)6(10(14)15)5-13(9)2/h3-5H,1-2H3,(H,11,12)(H,14,15)
InChIKeyKHUPZKJSWLICLH-UHFFFAOYSA-N
XLogP1.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84697473
1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 83907341
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine
CID 145487043
2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid
CID 83832708
5-amino-2-(methylamino)benzoic acid
CID 19006283
7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid
CID 84664498
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
6-[4-(dimethylamino)-5,6-difluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 135346126
3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine
CID 84681994
6-[6-fluoro-8-(methylamino)-4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 135346240

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 84673098) is 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid is CNc1ccnc2c1c(C(=O)O)cn2C.
What is the InChIKey of 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is KHUPZKJSWLICLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-11-7-3-4-12-9-8(7)6(10(14)15)5-13(9)2/h3-5H,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid?
1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 84673098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).