2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide

C15H14Cl2N4O2 — CID 25184849

IUPAC2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESC=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1Cl
InChIInChI=1S/C15H14Cl2N4O2/c1-3-6-23-15-13(17)9(2)19-14(21-15)11-5-4-10(8-18-11)20-12(22)7-16/h3-5,8H,1,6-7H2,2H3,(H,20,22)
InChIKeyZVRKETNVMFVIJP-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.24
Rot. Bonds6

About 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide

2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide (PubChem CID 25184849) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide
PubChem CID25184849
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESC=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1Cl
InChIInChI=1S/C15H14Cl2N4O2/c1-3-6-23-15-13(17)9(2)19-14(21-15)11-5-4-10(8-18-11)20-12(22)7-16/h3-5,8H,1,6-7H2,2H3,(H,20,22)
InChIKeyZVRKETNVMFVIJP-UHFFFAOYSA-N
XLogP3.24
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide (CID 25184849) is 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide is C=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1Cl.
What is the InChIKey of 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide?
The InChIKey is ZVRKETNVMFVIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-3-6-23-15-13(17)9(2)19-14(21-15)11-5-4-10(8-18-11)20-12(22)7-16/h3-5,8H,1,6-7H2,2H3,(H,20,22).
What are the key properties of 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide?
2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide has a molecular weight of 353.21 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 25184849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).