5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide

C16H11FN4O2 — CID 71285617

IUPAC5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2cccnc2)ncc1Oc1ccccc1F
InChIInChI=1S/C16H11FN4O2/c17-11-5-1-2-6-12(11)23-13-9-20-16(21-14(13)15(18)22)10-4-3-7-19-8-10/h1-9H,(H2,18,22)
InChIKeyLTXIDHXQJVGVFD-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.57
Rot. Bonds4

About 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide

5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide (PubChem CID 71285617) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide
PubChem CID71285617
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2cccnc2)ncc1Oc1ccccc1F
InChIInChI=1S/C16H11FN4O2/c17-11-5-1-2-6-12(11)23-13-9-20-16(21-14(13)15(18)22)10-4-3-7-19-8-10/h1-9H,(H2,18,22)
InChIKeyLTXIDHXQJVGVFD-UHFFFAOYSA-N
XLogP2.57
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide (CID 71285617) is 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide is NC(=O)c1nc(-c2cccnc2)ncc1Oc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide?
The InChIKey is LTXIDHXQJVGVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-11-5-1-2-6-12(11)23-13-9-20-16(21-14(13)15(18)22)10-4-3-7-19-8-10/h1-9H,(H2,18,22).
What are the key properties of 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide?
5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide has a molecular weight of 310.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 71285617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).