2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide

C16H11FN4O2 — CID 71285614

IUPAC2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(F)nc(-c2cccnc2)c1Oc1ccccc1
InChIInChI=1S/C16H11FN4O2/c17-16-20-12(10-5-4-8-19-9-10)14(13(21-16)15(18)22)23-11-6-2-1-3-7-11/h1-9H,(H2,18,22)
InChIKeyBXGVTKLNEMALKT-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.57
Rot. Bonds4

About 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide

2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide (PubChem CID 71285614) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide
PubChem CID71285614
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(F)nc(-c2cccnc2)c1Oc1ccccc1
InChIInChI=1S/C16H11FN4O2/c17-16-20-12(10-5-4-8-19-9-10)14(13(21-16)15(18)22)23-11-6-2-1-3-7-11/h1-9H,(H2,18,22)
InChIKeyBXGVTKLNEMALKT-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 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide (CID 71285614) is 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide is NC(=O)c1nc(F)nc(-c2cccnc2)c1Oc1ccccc1.
What is the InChIKey of 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide?
The InChIKey is BXGVTKLNEMALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-16-20-12(10-5-4-8-19-9-10)14(13(21-16)15(18)22)23-11-6-2-1-3-7-11/h1-9H,(H2,18,22).
What are the key properties of 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide?
2-fluoro-5-phenoxy-6-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 2-fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 71285614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).