4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile

C13H11N3O2 — CID 70924919

IUPAC4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(=O)[nH]c1OCc1ccccc1
InChIInChI=1S/C13H11N3O2/c14-7-10-11(15)6-12(17)16-13(10)18-8-9-4-2-1-3-5-9/h1-6H,8H2,(H3,15,16,17)
InChIKeyGHWCLSHGEPZSIK-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds3

About 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile

4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile (PubChem CID 70924919) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile
PubChem CID70924919
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(=O)[nH]c1OCc1ccccc1
InChIInChI=1S/C13H11N3O2/c14-7-10-11(15)6-12(17)16-13(10)18-8-9-4-2-1-3-5-9/h1-6H,8H2,(H3,15,16,17)
InChIKeyGHWCLSHGEPZSIK-UHFFFAOYSA-N
XLogP1.41
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile
CID 164614471
2-amino-4-(2-methyl-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393316
2-amino-6-oxo-4-[2-(4-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169394120
3-amino-2-phenylmethoxy-1H-quinolin-4-one
CID 67393102
4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586733
4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one
CID 137273215
4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
CID 70924925
6-methyl-4-(4-methyl-2-phenylmethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168585258
2-amino-4-phenylmethoxyquinoline-3-carbonitrile
CID 154856659
5-amino-2-phenylmethoxy-1H-pyrimidin-6-one
CID 141435481
2-amino-4-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395098

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile (CID 70924919) is 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile is N#Cc1c(N)cc(=O)[nH]c1OCc1ccccc1.
What is the InChIKey of 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile?
The InChIKey is GHWCLSHGEPZSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-7-10-11(15)6-12(17)16-13(10)18-8-9-4-2-1-3-5-9/h1-6H,8H2,(H3,15,16,17).
What are the key properties of 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile?
4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70924919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).