2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide

C17H13ClN4O2 — CID 30935825

IUPAC2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1ccccn1
InChIInChI=1S/C17H13ClN4O2/c18-13-6-4-12(5-7-13)14-9-17(24)22(11-20-14)10-16(23)21-15-3-1-2-8-19-15/h1-9,11H,10H2,(H,19,21,23)
InChIKeyMLJPWLGAHPGTSX-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide

2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 30935825) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID30935825
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1ccccn1
InChIInChI=1S/C17H13ClN4O2/c18-13-6-4-12(5-7-13)14-9-17(24)22(11-20-14)10-16(23)21-15-3-1-2-8-19-15/h1-9,11H,10H2,(H,19,21,23)
InChIKeyMLJPWLGAHPGTSX-UHFFFAOYSA-N
XLogP2.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide (CID 30935825) is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide is O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1ccccn1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is MLJPWLGAHPGTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-13-6-4-12(5-7-13)14-9-17(24)22(11-20-14)10-16(23)21-15-3-1-2-8-19-15/h1-9,11H,10H2,(H,19,21,23).
What are the key properties of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide?
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 340.77 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 30935825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).