N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide

C21H17N3O2 — CID 70924863

IUPACN-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
SMILESCOc1nc(-c2ccc(NC(C)=O)cc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C21H17N3O2/c1-14(25)23-17-10-8-16(9-11-17)20-12-18(15-6-4-3-5-7-15)19(13-22)21(24-20)26-2/h3-12H,1-2H3,(H,23,25)
InChIKeyZNJJTRBANWIFKB-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.25
Rot. Bonds4

About N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide

N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide (PubChem CID 70924863) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
PubChem CID70924863
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
SMILESCOc1nc(-c2ccc(NC(C)=O)cc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C21H17N3O2/c1-14(25)23-17-10-8-16(9-11-17)20-12-18(15-6-4-3-5-7-15)19(13-22)21(24-20)26-2/h3-12H,1-2H3,(H,23,25)
InChIKeyZNJJTRBANWIFKB-UHFFFAOYSA-N
XLogP4.25
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide (CID 70924863) is N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide is COc1nc(-c2ccc(NC(C)=O)cc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide?
The InChIKey is ZNJJTRBANWIFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14(25)23-17-10-8-16(9-11-17)20-12-18(15-6-4-3-5-7-15)19(13-22)21(24-20)26-2/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide?
N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 70924863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).