methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C15H12N4O3 — CID 70866046

IUPACmethyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC(=O)c3cccnc3)cnc2[nH]1
InChIInChI=1S/C15H12N4O3/c1-22-15(21)12-6-10-5-11(8-17-13(10)19-12)18-14(20)9-3-2-4-16-7-9/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyOLZRIODOWJKSQV-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.00
Rot. Bonds3

About methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 70866046) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID70866046
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Namemethyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC(=O)c3cccnc3)cnc2[nH]1
InChIInChI=1S/C15H12N4O3/c1-22-15(21)12-6-10-5-11(8-17-13(10)19-12)18-14(20)9-3-2-4-16-7-9/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyOLZRIODOWJKSQV-UHFFFAOYSA-N
XLogP2.00
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 70866046) is methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2cc(NC(=O)c3cccnc3)cnc2[nH]1.
What is the InChIKey of methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is OLZRIODOWJKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-15(21)12-6-10-5-11(8-17-13(10)19-12)18-14(20)9-3-2-4-16-7-9/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 296.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 70866046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).