N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide

C20H14ClFN4O2 — CID 170715736

IUPACN-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cccc(C#N)n3)c(F)c2)ncc1Cl
InChIInChI=1S/C20H14ClFN4O2/c1-28-18-9-19(24-11-15(18)21)26-20(27)8-12-5-6-14(16(22)7-12)17-4-2-3-13(10-23)25-17/h2-7,9,11H,8H2,1H3,(H,24,26,27)
InChIKeyXPHSBYWYSNKJOY-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.00
Rot. Bonds5

About N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide

N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide (PubChem CID 170715736) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide
PubChem CID170715736
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cccc(C#N)n3)c(F)c2)ncc1Cl
InChIInChI=1S/C20H14ClFN4O2/c1-28-18-9-19(24-11-15(18)21)26-20(27)8-12-5-6-14(16(22)7-12)17-4-2-3-13(10-23)25-17/h2-7,9,11H,8H2,1H3,(H,24,26,27)
InChIKeyXPHSBYWYSNKJOY-UHFFFAOYSA-N
XLogP4.00
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide?
The IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide (CID 170715736) is N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide.
What is the SMILES notation for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide?
The canonical SMILES for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide is COc1cc(NC(=O)Cc2ccc(-c3cccc(C#N)n3)c(F)c2)ncc1Cl.
What is the InChIKey of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide?
The InChIKey is XPHSBYWYSNKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c1-28-18-9-19(24-11-15(18)21)26-20(27)8-12-5-6-14(16(22)7-12)17-4-2-3-13(10-23)25-17/h2-7,9,11H,8H2,1H3,(H,24,26,27).
What are the key properties of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide?
N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide has a molecular weight of 396.81 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide is sourced from PubChem (CID 170715736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).