N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide

C14H10N6O4 — CID 45272255

IUPACN-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide
SMILESNc1nc(NC(=O)c2cccnc2)c([N+](=O)[O-])c(-c2ccco2)n1
InChIInChI=1S/C14H10N6O4/c15-14-17-10(9-4-2-6-24-9)11(20(22)23)12(19-14)18-13(21)8-3-1-5-16-7-8/h1-7H,(H3,15,17,18,19,21)
InChIKeyKRFMWHLMAJRMIN-UHFFFAOYSA-N
MW326.27 g/mol
LogP1.87
Rot. Bonds4

About N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide

N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide (PubChem CID 45272255) has the molecular formula C14H10N6O4 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide
PubChem CID45272255
Molecular FormulaC14H10N6O4
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC NameN-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide
SMILESNc1nc(NC(=O)c2cccnc2)c([N+](=O)[O-])c(-c2ccco2)n1
InChIInChI=1S/C14H10N6O4/c15-14-17-10(9-4-2-6-24-9)11(20(22)23)12(19-14)18-13(21)8-3-1-5-16-7-8/h1-7H,(H3,15,17,18,19,21)
InChIKeyKRFMWHLMAJRMIN-UHFFFAOYSA-N
XLogP1.87
TPSA150.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide (CID 45272255) is N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide is Nc1nc(NC(=O)c2cccnc2)c([N+](=O)[O-])c(-c2ccco2)n1.
What is the InChIKey of N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide?
The InChIKey is KRFMWHLMAJRMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O4/c15-14-17-10(9-4-2-6-24-9)11(20(22)23)12(19-14)18-13(21)8-3-1-5-16-7-8/h1-7H,(H3,15,17,18,19,21).
What are the key properties of N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide?
N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 45272255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).