5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide

C12H10FN5O4 — CID 88642874

IUPAC5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide
SMILESO=C(NCNC(=O)n1cc(F)c(=O)[nH]c1=O)c1cccnc1
InChIInChI=1S/C12H10FN5O4/c13-8-5-18(12(22)17-10(8)20)11(21)16-6-15-9(19)7-2-1-3-14-4-7/h1-5H,6H2,(H,15,19)(H,16,21)(H,17,20,22)
InChIKeyFNHIXMCAUAVBMX-UHFFFAOYSA-N
MW307.24 g/mol
LogP-0.98
Rot. Bonds3

About 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide (PubChem CID 88642874) has the molecular formula C12H10FN5O4 and a molecular weight of 307.24 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide
PubChem CID88642874
Molecular FormulaC12H10FN5O4
Molecular Weight307.24 g/mol
Exact Mass307.07
IUPAC Name5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide
SMILESO=C(NCNC(=O)n1cc(F)c(=O)[nH]c1=O)c1cccnc1
InChIInChI=1S/C12H10FN5O4/c13-8-5-18(12(22)17-10(8)20)11(21)16-6-15-9(19)7-2-1-3-14-4-7/h1-5H,6H2,(H,15,19)(H,16,21)(H,17,20,22)
InChIKeyFNHIXMCAUAVBMX-UHFFFAOYSA-N
XLogP-0.98
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide (CID 88642874) is 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide is O=C(NCNC(=O)n1cc(F)c(=O)[nH]c1=O)c1cccnc1.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide?
The InChIKey is FNHIXMCAUAVBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O4/c13-8-5-18(12(22)17-10(8)20)11(21)16-6-15-9(19)7-2-1-3-14-4-7/h1-5H,6H2,(H,15,19)(H,16,21)(H,17,20,22).
What are the key properties of 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide has a molecular weight of 307.24 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide is sourced from PubChem (CID 88642874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).