5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide

C16H12FN5O — CID 67509443

IUPAC5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)cnc1Nc1cccc(-c2ncccn2)c1
InChIInChI=1S/C16H12FN5O/c17-11-8-13(14(18)23)16(21-9-11)22-12-4-1-3-10(7-12)15-19-5-2-6-20-15/h1-9H,(H2,18,23)(H,21,22)
InChIKeyOQWANXNREPXQPH-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.52
Rot. Bonds4

About 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide

5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide (PubChem CID 67509443) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
PubChem CID67509443
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)cnc1Nc1cccc(-c2ncccn2)c1
InChIInChI=1S/C16H12FN5O/c17-11-8-13(14(18)23)16(21-9-11)22-12-4-1-3-10(7-12)15-19-5-2-6-20-15/h1-9H,(H2,18,23)(H,21,22)
InChIKeyOQWANXNREPXQPH-UHFFFAOYSA-N
XLogP2.52
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide (CID 67509443) is 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide is NC(=O)c1cc(F)cnc1Nc1cccc(-c2ncccn2)c1.
What is the InChIKey of 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is OQWANXNREPXQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-11-8-13(14(18)23)16(21-9-11)22-12-4-1-3-10(7-12)15-19-5-2-6-20-15/h1-9H,(H2,18,23)(H,21,22).
What are the key properties of 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide?
5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 67509443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).