2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

C13H15N3O2 — CID 150676654

IUPAC2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1ccc2cc(C3CCOCC3)[nH]c2n1
InChIInChI=1S/C13H15N3O2/c14-12(17)10-2-1-9-7-11(16-13(9)15-10)8-3-5-18-6-4-8/h1-2,7-8H,3-6H2,(H2,14,17)(H,15,16)
InChIKeyJHALBOIMUHBTNP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.56
Rot. Bonds2

About 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 150676654) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID150676654
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1ccc2cc(C3CCOCC3)[nH]c2n1
InChIInChI=1S/C13H15N3O2/c14-12(17)10-2-1-9-7-11(16-13(9)15-10)8-3-5-18-6-4-8/h1-2,7-8H,3-6H2,(H2,14,17)(H,15,16)
InChIKeyJHALBOIMUHBTNP-UHFFFAOYSA-N
XLogP1.56
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (CID 150676654) is 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is NC(=O)c1ccc2cc(C3CCOCC3)[nH]c2n1.
What is the InChIKey of 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is JHALBOIMUHBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-12(17)10-2-1-9-7-11(16-13(9)15-10)8-3-5-18-6-4-8/h1-2,7-8H,3-6H2,(H2,14,17)(H,15,16).
What are the key properties of 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 150676654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).