N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide

C14H11N5O6 — CID 16841424

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide
SMILESCn1c(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])o3)ccnc2n(C)c1=O
InChIInChI=1S/C14H11N5O6/c1-17-11-10(13(21)18(2)14(17)22)7(5-6-15-11)16-12(20)8-3-4-9(25-8)19(23)24/h3-6H,1-2H3,(H,15,16,20)
InChIKeyVLYFIXNAFUGKOX-UHFFFAOYSA-N
MW345.27 g/mol
LogP0.39
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide (PubChem CID 16841424) has the molecular formula C14H11N5O6 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide
PubChem CID16841424
Molecular FormulaC14H11N5O6
Molecular Weight345.27 g/mol
Exact Mass345.07
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide
SMILESCn1c(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])o3)ccnc2n(C)c1=O
InChIInChI=1S/C14H11N5O6/c1-17-11-10(13(21)18(2)14(17)22)7(5-6-15-11)16-12(20)8-3-4-9(25-8)19(23)24/h3-6H,1-2H3,(H,15,16,20)
InChIKeyVLYFIXNAFUGKOX-UHFFFAOYSA-N
XLogP0.39
TPSA142.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-methyl-3-nitrobenzamide
CID 16841353
2-(4-chlorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
CID 16841390
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841389
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
CID 16841327
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 16841429
5-nitro-N-quinolin-8-ylfuran-2-carboxamide
CID 935321
2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide
CID 16841348
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide
CID 16841396
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide (CID 16841424) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide is Cn1c(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])o3)ccnc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is VLYFIXNAFUGKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O6/c1-17-11-10(13(21)18(2)14(17)22)7(5-6-15-11)16-12(20)8-3-4-9(25-8)19(23)24/h3-6H,1-2H3,(H,15,16,20).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 345.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 16841424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).