[(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid

C24H24F2N6O5 — CID 66652816

IUPAC[(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid
SMILESC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(N)nc3F)n2)C[C@@H](NC(=O)O)[C@]1(C)O
InChIInChI=1S/C24H24F2N6O5/c1-11-24(2,36)18(31-23(34)35)9-17(37-11)12-7-8-28-10-16(12)30-22(33)15-5-4-14(25)20(29-15)13-3-6-19(27)32-21(13)26/h3-8,10-11,17-18,31,36H,9H2,1-2H3,(H2,27,32)(H,30,33)(H,34,35)/t11-,17-,18-,24-/m1/s1
InChIKeyJMGVCJMZZCIEAC-NZLAXBQGSA-N
MW514.49 g/mol
LogP2.89
Rot. Bonds5

About [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid

[(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid (PubChem CID 66652816) has the molecular formula C24H24F2N6O5 and a molecular weight of 514.49 g/mol. Its IUPAC name is [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid
PubChem CID66652816
Molecular FormulaC24H24F2N6O5
Molecular Weight514.49 g/mol
Exact Mass514.18
IUPAC Name[(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid
SMILESC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(N)nc3F)n2)C[C@@H](NC(=O)O)[C@]1(C)O
InChIInChI=1S/C24H24F2N6O5/c1-11-24(2,36)18(31-23(34)35)9-17(37-11)12-7-8-28-10-16(12)30-22(33)15-5-4-14(25)20(29-15)13-3-6-19(27)32-21(13)26/h3-8,10-11,17-18,31,36H,9H2,1-2H3,(H2,27,32)(H,30,33)(H,34,35)/t11-,17-,18-,24-/m1/s1
InChIKeyJMGVCJMZZCIEAC-NZLAXBQGSA-N
XLogP2.89
TPSA172.58 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.49
LogP ≤ 52.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid?
The IUPAC name of [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid (CID 66652816) is [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid.
What is the SMILES notation for [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid?
The canonical SMILES for [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid is C[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(N)nc3F)n2)C[C@@H](NC(=O)O)[C@]1(C)O.
What is the InChIKey of [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid?
The InChIKey is JMGVCJMZZCIEAC-NZLAXBQGSA-N. The full InChI is InChI=1S/C24H24F2N6O5/c1-11-24(2,36)18(31-23(34)35)9-17(37-11)12-7-8-28-10-16(12)30-22(33)15-5-4-14(25)20(29-15)13-3-6-19(27)32-21(13)26/h3-8,10-11,17-18,31,36H,9H2,1-2H3,(H2,27,32)(H,30,33)(H,34,35)/t11-,17-,18-,24-/m1/s1.
What are the key properties of [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid?
[(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid has a molecular weight of 514.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamic acid is sourced from PubChem (CID 66652816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).