N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide

C11H10N4O — CID 12764733

IUPACN-(2-pyridin-4-ylpyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C11H10N4O/c1-8(16)14-10-4-7-13-11(15-10)9-2-5-12-6-3-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyZZLJJAGIUYYIRN-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.50
Rot. Bonds2

About N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide

N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide (PubChem CID 12764733) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-pyridin-4-ylpyrimidin-4-yl)acetamide
PubChem CID12764733
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-(2-pyridin-4-ylpyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C11H10N4O/c1-8(16)14-10-4-7-13-11(15-10)9-2-5-12-6-3-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyZZLJJAGIUYYIRN-UHFFFAOYSA-N
XLogP1.50
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide?
The IUPAC name of N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide (CID 12764733) is N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide is CC(=O)Nc1ccnc(-c2ccncc2)n1.
What is the InChIKey of N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide?
The InChIKey is ZZLJJAGIUYYIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-8(16)14-10-4-7-13-11(15-10)9-2-5-12-6-3-9/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide?
N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide has a molecular weight of 214.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 12764733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).