5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide

C16H12N4O — CID 110683610

IUPAC5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C16H12N4O/c21-15(20-16-17-9-4-10-18-16)14-8-7-13(11-19-14)12-5-2-1-3-6-12/h1-11H,(H,17,18,20,21)
InChIKeyFHKZTKKHAQMBKV-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.79
Rot. Bonds3

About 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide

5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide (PubChem CID 110683610) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide
PubChem CID110683610
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C16H12N4O/c21-15(20-16-17-9-4-10-18-16)14-8-7-13(11-19-14)12-5-2-1-3-6-12/h1-11H,(H,17,18,20,21)
InChIKeyFHKZTKKHAQMBKV-UHFFFAOYSA-N
XLogP2.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide (CID 110683610) is 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide is O=C(Nc1ncccn1)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide?
The InChIKey is FHKZTKKHAQMBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-15(20-16-17-9-4-10-18-16)14-8-7-13(11-19-14)12-5-2-1-3-6-12/h1-11H,(H,17,18,20,21).
What are the key properties of 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide?
5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 110683610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).