4-amino-1-benzyl-2-oxopyridine-3-carbonitrile

C13H11N3O — CID 794120

IUPAC4-amino-1-benzyl-2-oxopyridine-3-carbonitrile
SMILESN#Cc1c(N)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H11N3O/c14-8-11-12(15)6-7-16(13(11)17)9-10-4-2-1-3-5-10/h1-7H,9,15H2
InChIKeyCSSONWUZPGGDKI-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.35
Rot. Bonds2

About 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile

4-amino-1-benzyl-2-oxopyridine-3-carbonitrile (PubChem CID 794120) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-1-benzyl-2-oxopyridine-3-carbonitrile
PubChem CID794120
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-amino-1-benzyl-2-oxopyridine-3-carbonitrile
SMILESN#Cc1c(N)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H11N3O/c14-8-11-12(15)6-7-16(13(11)17)9-10-4-2-1-3-5-10/h1-7H,9,15H2
InChIKeyCSSONWUZPGGDKI-UHFFFAOYSA-N
XLogP1.35
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile (CID 794120) is 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile is N#Cc1c(N)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile?
The InChIKey is CSSONWUZPGGDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-11-12(15)6-7-16(13(11)17)9-10-4-2-1-3-5-10/h1-7H,9,15H2.
What are the key properties of 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile?
4-amino-1-benzyl-2-oxopyridine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 794120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).