2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C14H9N5O3 — CID 169393298

IUPAC2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1ccc([N+](=O)[O-])cc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C14H9N5O3/c1-7-2-3-8(19(21)22)4-9(7)12-10(5-15)13(17)18-14(20)11(12)6-16/h2-4H,1H3,(H3,17,18,20)
InChIKeyFNRPPLLLKHCOOS-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.58
Rot. Bonds2

About 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393298) has the molecular formula C14H9N5O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393298
Molecular FormulaC14H9N5O3
Molecular Weight295.26 g/mol
Exact Mass295.07
IUPAC Name2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1ccc([N+](=O)[O-])cc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C14H9N5O3/c1-7-2-3-8(19(21)22)4-9(7)12-10(5-15)13(17)18-14(20)11(12)6-16/h2-4H,1H3,(H3,17,18,20)
InChIKeyFNRPPLLLKHCOOS-UHFFFAOYSA-N
XLogP1.58
TPSA149.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169392987
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393282
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-6-methoxy-4-nitrophenoxy]acetic acid
CID 169394528
2-amino-4-[3-methoxy-4-(4-nitrophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394466
2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394274
5,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 139215856
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395729
2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393025
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3-ethylphenyl]boronic acid
CID 169394273
2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395296

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393298) is 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is Cc1ccc([N+](=O)[O-])cc1-c1c(C#N)c(N)[nH]c(=O)c1C#N.
What is the InChIKey of 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is FNRPPLLLKHCOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O3/c1-7-2-3-8(19(21)22)4-9(7)12-10(5-15)13(17)18-14(20)11(12)6-16/h2-4H,1H3,(H3,17,18,20).
What are the key properties of 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 295.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).