3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide

C16H12N4O — CID 146303800

IUPAC3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2ncccn2)c1-c1ccccc1
InChIInChI=1S/C16H12N4O/c17-15(21)12-7-10-18-14(16-19-8-4-9-20-16)13(12)11-5-2-1-3-6-11/h1-10H,(H2,17,21)
InChIKeyFMOJUWNNRBOCEO-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.30
Rot. Bonds3

About 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide

3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide (PubChem CID 146303800) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide
PubChem CID146303800
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2ncccn2)c1-c1ccccc1
InChIInChI=1S/C16H12N4O/c17-15(21)12-7-10-18-14(16-19-8-4-9-20-16)13(12)11-5-2-1-3-6-11/h1-10H,(H2,17,21)
InChIKeyFMOJUWNNRBOCEO-UHFFFAOYSA-N
XLogP2.30
TPSA81.76 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide?
The IUPAC name of 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide (CID 146303800) is 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide?
The canonical SMILES for 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide is NC(=O)c1ccnc(-c2ncccn2)c1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide?
The InChIKey is FMOJUWNNRBOCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-15(21)12-7-10-18-14(16-19-8-4-9-20-16)13(12)11-5-2-1-3-6-11/h1-10H,(H2,17,21).
What are the key properties of 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide?
3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 146303800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).