N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide

C12H11ClN4O2 — CID 135909405

IUPACN-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(C)c(Cl)c(=O)[nH]2)nc1
InChIInChI=1S/C12H11ClN4O2/c1-6-10(13)12(19)17-11(15-6)9-4-3-8(5-14-9)16-7(2)18/h3-5H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyGGBREIZJOWVESY-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.75
Rot. Bonds2

About N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide

N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide (PubChem CID 135909405) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
PubChem CID135909405
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(C)c(Cl)c(=O)[nH]2)nc1
InChIInChI=1S/C12H11ClN4O2/c1-6-10(13)12(19)17-11(15-6)9-4-3-8(5-14-9)16-7(2)18/h3-5H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyGGBREIZJOWVESY-UHFFFAOYSA-N
XLogP1.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide (CID 135909405) is N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2nc(C)c(Cl)c(=O)[nH]2)nc1.
What is the InChIKey of N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
The InChIKey is GGBREIZJOWVESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-6-10(13)12(19)17-11(15-6)9-4-3-8(5-14-9)16-7(2)18/h3-5H,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide has a molecular weight of 278.70 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 135909405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).