N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide

C22H28FN5O5S — CID 56602148

IUPACN-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(N3CCS(=O)(=O)CC3)n2)C[C@@H](N)[C@]1(C)O
InChIInChI=1S/C22H28FN5O5S/c1-13-22(2,30)19(24)11-18(33-13)14-5-6-25-12-17(14)27-21(29)16-4-3-15(23)20(26-16)28-7-9-34(31,32)10-8-28/h3-6,12-13,18-19,30H,7-11,24H2,1-2H3,(H,27,29)/t13-,18-,19-,22-/m1/s1
InChIKeyQKJAEUAXMSGGDX-ZYFHONAXSA-N
MW493.56 g/mol
LogP1.03
Rot. Bonds4

About N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide

N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide (PubChem CID 56602148) has the molecular formula C22H28FN5O5S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide
PubChem CID56602148
Molecular FormulaC22H28FN5O5S
Molecular Weight493.56 g/mol
Exact Mass493.18
IUPAC NameN-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(N3CCS(=O)(=O)CC3)n2)C[C@@H](N)[C@]1(C)O
InChIInChI=1S/C22H28FN5O5S/c1-13-22(2,30)19(24)11-18(33-13)14-5-6-25-12-17(14)27-21(29)16-4-3-15(23)20(26-16)28-7-9-34(31,32)10-8-28/h3-6,12-13,18-19,30H,7-11,24H2,1-2H3,(H,27,29)/t13-,18-,19-,22-/m1/s1
InChIKeyQKJAEUAXMSGGDX-ZYFHONAXSA-N
XLogP1.03
TPSA147.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide (CID 56602148) is N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide is C[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(N3CCS(=O)(=O)CC3)n2)C[C@@H](N)[C@]1(C)O.
What is the InChIKey of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide?
The InChIKey is QKJAEUAXMSGGDX-ZYFHONAXSA-N. The full InChI is InChI=1S/C22H28FN5O5S/c1-13-22(2,30)19(24)11-18(33-13)14-5-6-25-12-17(14)27-21(29)16-4-3-15(23)20(26-16)28-7-9-34(31,32)10-8-28/h3-6,12-13,18-19,30H,7-11,24H2,1-2H3,(H,27,29)/t13-,18-,19-,22-/m1/s1.
What are the key properties of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide?
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 56602148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).