2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide

C18H15FN6O2 — CID 69022598

IUPAC2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1cccnc1F
InChIInChI=1S/C18H15FN6O2/c19-16-11(3-1-6-21-16)18(27)24-13-4-2-8-25-15(26)9-14(23-17(13)25)12-5-7-20-10-22-12/h1,3,5-7,9-10,13H,2,4,8H2,(H,24,27)
InChIKeyIRLMYGBEHOWWLD-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.50
Rot. Bonds3

About 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide

2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide (PubChem CID 69022598) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide
PubChem CID69022598
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1cccnc1F
InChIInChI=1S/C18H15FN6O2/c19-16-11(3-1-6-21-16)18(27)24-13-4-2-8-25-15(26)9-14(23-17(13)25)12-5-7-20-10-22-12/h1,3,5-7,9-10,13H,2,4,8H2,(H,24,27)
InChIKeyIRLMYGBEHOWWLD-UHFFFAOYSA-N
XLogP1.50
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide (CID 69022598) is 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide is O=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide?
The InChIKey is IRLMYGBEHOWWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c19-16-11(3-1-6-21-16)18(27)24-13-4-2-8-25-15(26)9-14(23-17(13)25)12-5-7-20-10-22-12/h1,3,5-7,9-10,13H,2,4,8H2,(H,24,27).
What are the key properties of 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide?
2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide is sourced from PubChem (CID 69022598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).