N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide

C15H14FN5O7 — CID 153405843

IUPACN-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide
SMILESO=C(Nc1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C15H14FN5O7/c16-11-12(23)9(6-22)28-14(11)20-4-3-10(19-15(20)25)18-13(24)8-2-1-7(5-17-8)21(26)27/h1-5,9,11-12,14,22-23H,6H2,(H,18,19,24,25)/t9-,11-,12-,14+/m1/s1
InChIKeyCDNMBJQGUAXZOZ-LHMODEAPSA-N
MW395.30 g/mol
LogP-0.61
Rot. Bonds5

About N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide

N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide (PubChem CID 153405843) has the molecular formula C15H14FN5O7 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide
PubChem CID153405843
Molecular FormulaC15H14FN5O7
Molecular Weight395.30 g/mol
Exact Mass395.09
IUPAC NameN-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide
SMILESO=C(Nc1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C15H14FN5O7/c16-11-12(23)9(6-22)28-14(11)20-4-3-10(19-15(20)25)18-13(24)8-2-1-7(5-17-8)21(26)27/h1-5,9,11-12,14,22-23H,6H2,(H,18,19,24,25)/t9-,11-,12-,14+/m1/s1
InChIKeyCDNMBJQGUAXZOZ-LHMODEAPSA-N
XLogP-0.61
TPSA169.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide with MolForge

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Related Compounds

5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide
CID 139364463
N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 150568808
1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 122450152
prop-2-enyl N-[1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 91452016
4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
1-[(2R,4S,5S,6R)-3,4-difluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-4-(propan-2-ylamino)pyrimidin-2-one
CID 174025289
N-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxan-2-yl](613C,1,3-15N2)pyrimidin-4-yl](15N)benzamide
CID 10271516
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-hydroxybenzamide
CID 53389701
2-deuterio-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 141376225
N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide
CID 7272015
sodium;N-[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-[(2-hydroxyacetyl)amino]-2-methylpropanamide;acetate
CID 46876929

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide?
The IUPAC name of N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide (CID 153405843) is N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide is O=C(Nc1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide?
The InChIKey is CDNMBJQGUAXZOZ-LHMODEAPSA-N. The full InChI is InChI=1S/C15H14FN5O7/c16-11-12(23)9(6-22)28-14(11)20-4-3-10(19-15(20)25)18-13(24)8-2-1-7(5-17-8)21(26)27/h1-5,9,11-12,14,22-23H,6H2,(H,18,19,24,25)/t9-,11-,12-,14+/m1/s1.
What are the key properties of N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide?
N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide has a molecular weight of 395.30 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide is sourced from PubChem (CID 153405843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).