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

C23H24F2N6O3 — CID 56601938

IUPAC6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(N)nc3F)n2)C[C@@H](N)[C@]1(C)O
InChIInChI=1S/C23H24F2N6O3/c1-11-23(2,33)18(26)9-17(34-11)12-7-8-28-10-16(12)30-22(32)15-5-4-14(24)20(29-15)13-3-6-19(27)31-21(13)25/h3-8,10-11,17-18,33H,9,26H2,1-2H3,(H2,27,31)(H,30,32)/t11-,17-,18-,23-/m1/s1
InChIKeyRFUYYPFHTSHOHV-MGZSMOLESA-N
MW470.48 g/mol
LogP2.58
Rot. Bonds4

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

6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (PubChem CID 56601938) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is 6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
PubChem CID56601938
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC Name6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(N)nc3F)n2)C[C@@H](N)[C@]1(C)O
InChIInChI=1S/C23H24F2N6O3/c1-11-23(2,33)18(26)9-17(34-11)12-7-8-28-10-16(12)30-22(32)15-5-4-14(24)20(29-15)13-3-6-19(27)31-21(13)25/h3-8,10-11,17-18,33H,9,26H2,1-2H3,(H2,27,31)(H,30,32)/t11-,17-,18-,23-/m1/s1
InChIKeyRFUYYPFHTSHOHV-MGZSMOLESA-N
XLogP2.58
TPSA149.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (CID 56601938) is 6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is C[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(N)nc3F)n2)C[C@@H](N)[C@]1(C)O.
What is the InChIKey of 6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is RFUYYPFHTSHOHV-MGZSMOLESA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-11-23(2,33)18(26)9-17(34-11)12-7-8-28-10-16(12)30-22(32)15-5-4-14(24)20(29-15)13-3-6-19(27)31-21(13)25/h3-8,10-11,17-18,33H,9,26H2,1-2H3,(H2,27,31)(H,30,32)/t11-,17-,18-,23-/m1/s1.
What are the key properties of 6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 56601938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).