N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

C17H13FN4O2 — CID 70240540

IUPACN-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESO=C(Nc1ccncc1F)C1=C(O)CCc2c1nc1ccccn21
InChIInChI=1S/C17H13FN4O2/c18-10-9-19-7-6-11(10)20-17(24)15-13(23)5-4-12-16(15)21-14-3-1-2-8-22(12)14/h1-3,6-9,23H,4-5H2,(H,19,20,24)
InChIKeyAYVLOJSLLZOTRQ-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.72
Rot. Bonds2

About N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (PubChem CID 70240540) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
PubChem CID70240540
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC NameN-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESO=C(Nc1ccncc1F)C1=C(O)CCc2c1nc1ccccn21
InChIInChI=1S/C17H13FN4O2/c18-10-9-19-7-6-11(10)20-17(24)15-13(23)5-4-12-16(15)21-14-3-1-2-8-22(12)14/h1-3,6-9,23H,4-5H2,(H,19,20,24)
InChIKeyAYVLOJSLLZOTRQ-UHFFFAOYSA-N
XLogP2.72
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (CID 70240540) is N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is O=C(Nc1ccncc1F)C1=C(O)CCc2c1nc1ccccn21.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The InChIKey is AYVLOJSLLZOTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-10-9-19-7-6-11(10)20-17(24)15-13(23)5-4-12-16(15)21-14-3-1-2-8-22(12)14/h1-3,6-9,23H,4-5H2,(H,19,20,24).
What are the key properties of N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide has a molecular weight of 324.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is sourced from PubChem (CID 70240540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).