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

C20H16N4O — CID 856313

IUPACN-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H16N4O/c1-13(25)23-16-9-7-15(8-10-16)19-11-17(14-5-3-2-4-6-14)18(12-21)20(22)24-19/h2-11H,1H3,(H2,22,24)(H,23,25)
InChIKeyBZXAOUVLGYOFEG-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.83
Rot. Bonds3

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

N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide (PubChem CID 856313) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
PubChem CID856313
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H16N4O/c1-13(25)23-16-9-7-15(8-10-16)19-11-17(14-5-3-2-4-6-14)18(12-21)20(22)24-19/h2-11H,1H3,(H2,22,24)(H,23,25)
InChIKeyBZXAOUVLGYOFEG-UHFFFAOYSA-N
XLogP3.83
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide (CID 856313) is N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)cc1.
What is the InChIKey of N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide?
The InChIKey is BZXAOUVLGYOFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13(25)23-16-9-7-15(8-10-16)19-11-17(14-5-3-2-4-6-14)18(12-21)20(22)24-19/h2-11H,1H3,(H2,22,24)(H,23,25).
What are the key properties of N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide?
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide has a molecular weight of 328.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 856313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).