1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide

C10H11N3O — CID 59239700

IUPAC1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cnc2c(c1)c(C(N)=O)cn2C
InChIInChI=1S/C10H11N3O/c1-6-3-7-8(9(11)14)5-13(2)10(7)12-4-6/h3-5H,1-2H3,(H2,11,14)
InChIKeyAVNHTCUOPMKDGI-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.98
Rot. Bonds1

About 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide

1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 59239700) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID59239700
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cnc2c(c1)c(C(N)=O)cn2C
InChIInChI=1S/C10H11N3O/c1-6-3-7-8(9(11)14)5-13(2)10(7)12-4-6/h3-5H,1-2H3,(H2,11,14)
InChIKeyAVNHTCUOPMKDGI-UHFFFAOYSA-N
XLogP0.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 59239700) is 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide is Cc1cnc2c(c1)c(C(N)=O)cn2C.
What is the InChIKey of 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is AVNHTCUOPMKDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-3-7-8(9(11)14)5-13(2)10(7)12-4-6/h3-5H,1-2H3,(H2,11,14).
What are the key properties of 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 59239700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).