4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid

C10H11N3O3 — CID 73013656

IUPAC4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCc1[nH]c2[nH]c(=O)c(C(=O)O)c(N)c2c1C
InChIInChI=1S/C10H11N3O3/c1-3-4(2)12-8-5(3)7(11)6(10(15)16)9(14)13-8/h1-2H3,(H,15,16)(H4,11,12,13,14)
InChIKeyFDOQNEXCARAPOX-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.75
Rot. Bonds1

About 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid

4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 73013656) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
PubChem CID73013656
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCc1[nH]c2[nH]c(=O)c(C(=O)O)c(N)c2c1C
InChIInChI=1S/C10H11N3O3/c1-3-4(2)12-8-5(3)7(11)6(10(15)16)9(14)13-8/h1-2H3,(H,15,16)(H4,11,12,13,14)
InChIKeyFDOQNEXCARAPOX-UHFFFAOYSA-N
XLogP0.75
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dimethyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)propanoic acid
CID 53214113
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 4-amino-6,7-dihydro-2,3-dimethyl-6-oxo-
CID 73013649
1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-amino-6,7-dihydro-2,3-dimethyl-6-oxo-
CID 73013650
4-Amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
CID 73014004
6H-Pyrrolo[2,3-b]pyridin-6-one, 4-amino-1,7-dihydro-5-mercapto-2,3-dimethyl-
CID 73014005
2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 112713055

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 73013656) is 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid is Cc1[nH]c2[nH]c(=O)c(C(=O)O)c(N)c2c1C.
What is the InChIKey of 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is FDOQNEXCARAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-4(2)12-8-5(3)7(11)6(10(15)16)9(14)13-8/h1-2H3,(H,15,16)(H4,11,12,13,14).
What are the key properties of 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 73013656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).