N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide

C9H9N3O — CID 67203949

IUPACN-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)C1=CN=C2N=CC=C2C1
InChIInChI=1S/C9H9N3O/c1-10-9(13)7-4-6-2-3-11-8(6)12-5-7/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyHQQZMDLGNIRNRS-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.43
Rot. Bonds1

About N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67203949) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67203949
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)C1=CN=C2N=CC=C2C1
InChIInChI=1S/C9H9N3O/c1-10-9(13)7-4-6-2-3-11-8(6)12-5-7/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyHQQZMDLGNIRNRS-UHFFFAOYSA-N
XLogP0.43
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67203949) is N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)C1=CN=C2N=CC=C2C1.
What is the InChIKey of N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is HQQZMDLGNIRNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-10-9(13)7-4-6-2-3-11-8(6)12-5-7/h2-3,5H,4H2,1H3,(H,10,13).
What are the key properties of N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67203949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).