3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide

C13H9F2N5O — CID 86653263

IUPAC3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESNC(=O)c1c(F)c(N)cc(-c2cnc3nc[nH]c3c2)c1F
InChIInChI=1S/C13H9F2N5O/c14-10-6(2-7(16)11(15)9(10)12(17)21)5-1-8-13(18-3-5)20-4-19-8/h1-4H,16H2,(H2,17,21)(H,18,19,20)
InChIKeyYCYCTEGKOJLFIV-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.58
Rot. Bonds2

About 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide

3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 86653263) has the molecular formula C13H9F2N5O and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide
PubChem CID86653263
Molecular FormulaC13H9F2N5O
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESNC(=O)c1c(F)c(N)cc(-c2cnc3nc[nH]c3c2)c1F
InChIInChI=1S/C13H9F2N5O/c14-10-6(2-7(16)11(15)9(10)12(17)21)5-1-8-13(18-3-5)20-4-19-8/h1-4H,16H2,(H2,17,21)(H,18,19,20)
InChIKeyYCYCTEGKOJLFIV-UHFFFAOYSA-N
XLogP1.58
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide (CID 86653263) is 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide is NC(=O)c1c(F)c(N)cc(-c2cnc3nc[nH]c3c2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is YCYCTEGKOJLFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O/c14-10-6(2-7(16)11(15)9(10)12(17)21)5-1-8-13(18-3-5)20-4-19-8/h1-4H,16H2,(H2,17,21)(H,18,19,20).
What are the key properties of 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 289.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 86653263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).