N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide

C15H15Cl2N3O2 — CID 170715426

IUPACN-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)c2ccc(Cl)nc2)ncc1Cl
InChIInChI=1S/C15H15Cl2N3O2/c1-15(2,9-4-5-12(17)18-7-9)14(21)20-13-6-11(22-3)10(16)8-19-13/h4-8H,1-3H3,(H,19,20,21)
InChIKeyILOYVJDHSPUGED-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.71
Rot. Bonds4

About N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide

N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide (PubChem CID 170715426) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide
PubChem CID170715426
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)c2ccc(Cl)nc2)ncc1Cl
InChIInChI=1S/C15H15Cl2N3O2/c1-15(2,9-4-5-12(17)18-7-9)14(21)20-13-6-11(22-3)10(16)8-19-13/h4-8H,1-3H3,(H,19,20,21)
InChIKeyILOYVJDHSPUGED-UHFFFAOYSA-N
XLogP3.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide?
The IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide (CID 170715426) is N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide is COc1cc(NC(=O)C(C)(C)c2ccc(Cl)nc2)ncc1Cl.
What is the InChIKey of N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide?
The InChIKey is ILOYVJDHSPUGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-15(2,9-4-5-12(17)18-7-9)14(21)20-13-6-11(22-3)10(16)8-19-13/h4-8H,1-3H3,(H,19,20,21).
What are the key properties of N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide?
N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide has a molecular weight of 340.21 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 170715426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).