1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide

C15H14FN3O5 — CID 39038188

IUPAC1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(CCCOc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FN3O5/c16-10-2-4-12(5-3-10)24-7-1-6-18-9-11(19(22)23)8-13(14(17)20)15(18)21/h2-5,8-9H,1,6-7H2,(H2,17,20)
InChIKeyHUCCCQKNGWANGP-UHFFFAOYSA-N
MW335.29 g/mol
LogP1.46
Rot. Bonds7

About 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide

1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide (PubChem CID 39038188) has the molecular formula C15H14FN3O5 and a molecular weight of 335.29 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
PubChem CID39038188
Molecular FormulaC15H14FN3O5
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(CCCOc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FN3O5/c16-10-2-4-12(5-3-10)24-7-1-6-18-9-11(19(22)23)8-13(14(17)20)15(18)21/h2-5,8-9H,1,6-7H2,(H2,17,20)
InChIKeyHUCCCQKNGWANGP-UHFFFAOYSA-N
XLogP1.46
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 32540858
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 71921248
5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 34349709
3-(4-fluorophenoxy)propyl 2-morpholin-4-yl-5-nitrobenzoate
CID 31431504
1-[3-(4-methoxyphenoxy)propyl]-5-nitropyridin-2-one
CID 38896173
1-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-5-nitropyridin-2-one
CID 84570933
1-[(2R)-2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 94386546
3-[3-(4-fluorophenoxy)propyl]-5-nitro-1,3-benzoxazol-2-one
CID 39049192
1-fluoro-4-nitrobenzene;1-[3-(4-nitrophenoxy)propyl]pyrrolidine;3-pyrrolidin-1-ylpropan-1-ol
CID 159007183
1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 42942061
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 35500675

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide (CID 39038188) is 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cn(CCCOc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide?
The InChIKey is HUCCCQKNGWANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O5/c16-10-2-4-12(5-3-10)24-7-1-6-18-9-11(19(22)23)8-13(14(17)20)15(18)21/h2-5,8-9H,1,6-7H2,(H2,17,20).
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide?
1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 39038188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).