2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide

C14H13N3O5 — CID 23338590

IUPAC2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(O)c1C(N)=O
InChIInChI=1S/C14H13N3O5/c1-8-6-11(18)16(14(20)12(8)13(15)19)7-9-2-4-10(5-3-9)17(21)22/h2-6,20H,7H2,1H3,(H2,15,19)
InChIKeyFGUJGFCRJLRNFP-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.92
Rot. Bonds4

About 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide

2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 23338590) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID23338590
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(O)c1C(N)=O
InChIInChI=1S/C14H13N3O5/c1-8-6-11(18)16(14(20)12(8)13(15)19)7-9-2-4-10(5-3-9)17(21)22/h2-6,20H,7H2,1H3,(H2,15,19)
InChIKeyFGUJGFCRJLRNFP-UHFFFAOYSA-N
XLogP0.92
TPSA128.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.92
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

1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 3620214
4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one
CID 39767911
6-chloro-2-ethyl-3-[(4-nitrophenyl)methyl]pyrimidin-4-one
CID 114584345
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-5-(4-nitrobenzoyl)-2-oxopyridine-3-carbonitrile
CID 19117763
2-(4-nitrophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 61056907
6-methyl-3-[(4-nitrophenyl)methyl]-2-piperidin-1-ylpyrimidin-4-one
CID 30322637
5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
CID 137108296
6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one
CID 24730405
2-fluoro-6-methyl-4-nitrobenzamide
CID 130969161
5-carbamoyl-1-[(4-nitrophenyl)methyl]-2H-imidazol-2-ylium-4-olate
CID 88715429
2,5-dimethyl-1-[(4-nitrophenyl)methyl]pyrrole-3-carbaldehyde
CID 23008585

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 23338590) is 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(O)c1C(N)=O.
What is the InChIKey of 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is FGUJGFCRJLRNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-8-6-11(18)16(14(20)12(8)13(15)19)7-9-2-4-10(5-3-9)17(21)22/h2-6,20H,7H2,1H3,(H2,15,19).
What are the key properties of 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 303.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 23338590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).