1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C14H13N3O2 — CID 71668583

IUPAC1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(Cc2ccccc2)c(O)n(N)c(=O)c1C#N
InChIInChI=1S/C14H13N3O2/c1-9-11(7-10-5-3-2-4-6-10)13(18)17(16)14(19)12(9)8-15/h2-6,18H,7,16H2,1H3
InChIKeyCZDQIQVMJUHGFP-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.04
Rot. Bonds2

About 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 71668583) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID71668583
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(Cc2ccccc2)c(O)n(N)c(=O)c1C#N
InChIInChI=1S/C14H13N3O2/c1-9-11(7-10-5-3-2-4-6-10)13(18)17(16)14(19)12(9)8-15/h2-6,18H,7,16H2,1H3
InChIKeyCZDQIQVMJUHGFP-UHFFFAOYSA-N
XLogP1.04
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 71668583) is 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1c(Cc2ccccc2)c(O)n(N)c(=O)c1C#N.
What is the InChIKey of 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is CZDQIQVMJUHGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-11(7-10-5-3-2-4-6-10)13(18)17(16)14(19)12(9)8-15/h2-6,18H,7,16H2,1H3.
What are the key properties of 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 71668583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).