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

C14H12N4O — CID 11658882

IUPACN-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1
InChIInChI=1S/C14H12N4O/c1-9(19)17-13-7-12(16)11(8-15)14(18-13)10-5-3-2-4-6-10/h2-7H,1H3,(H3,16,17,18,19)
InChIKeyGTMGQYXCPKUZAD-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.16
Rot. Bonds2

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

N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide (PubChem CID 11658882) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide
PubChem CID11658882
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1
InChIInChI=1S/C14H12N4O/c1-9(19)17-13-7-12(16)11(8-15)14(18-13)10-5-3-2-4-6-10/h2-7H,1H3,(H3,16,17,18,19)
InChIKeyGTMGQYXCPKUZAD-UHFFFAOYSA-N
XLogP2.16
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide?
The IUPAC name of N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide (CID 11658882) is N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide is CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1.
What is the InChIKey of N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide?
The InChIKey is GTMGQYXCPKUZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9(19)17-13-7-12(16)11(8-15)14(18-13)10-5-3-2-4-6-10/h2-7H,1H3,(H3,16,17,18,19).
What are the key properties of N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide?
N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 11658882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).