N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide

C16H12N4O — CID 129255085

IUPACN-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1cncnc1
InChIInChI=1S/C16H12N4O/c21-16(14-8-17-11-18-9-14)20-15-7-6-13(10-19-15)12-4-2-1-3-5-12/h1-11H,(H,19,20,21)
InChIKeyHSBPIJQAITYVQJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.79
Rot. Bonds3

About N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide

N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 129255085) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
PubChem CID129255085
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC NameN-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1cncnc1
InChIInChI=1S/C16H12N4O/c21-16(14-8-17-11-18-9-14)20-15-7-6-13(10-19-15)12-4-2-1-3-5-12/h1-11H,(H,19,20,21)
InChIKeyHSBPIJQAITYVQJ-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 N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide (CID 129255085) is N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(-c2ccccc2)cn1)c1cncnc1.
What is the InChIKey of N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is HSBPIJQAITYVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-16(14-8-17-11-18-9-14)20-15-7-6-13(10-19-15)12-4-2-1-3-5-12/h1-11H,(H,19,20,21).
What are the key properties of N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
N-(5-phenyl-2-pyridinyl)pyrimidine-5-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 N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 129255085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).