N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide

C20H24FN3O5S — CID 54644034

IUPACN-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)c1cccnc1
InChIInChI=1S/C20H24FN3O5S/c21-15-3-6-17(7-4-15)30(27,28)23-11-9-16-5-8-18(19(13-25)29-16)24-20(26)14-2-1-10-22-12-14/h1-4,6-7,10,12,16,18-19,23,25H,5,8-9,11,13H2,(H,24,26)/t16-,18-,19+/m1/s1
InChIKeyCPSQSDGHTZCQHA-QRQLOZEOSA-N
MW437.49 g/mol
LogP1.23
Rot. Bonds8

About N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide

N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide (PubChem CID 54644034) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide
PubChem CID54644034
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC NameN-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)c1cccnc1
InChIInChI=1S/C20H24FN3O5S/c21-15-3-6-17(7-4-15)30(27,28)23-11-9-16-5-8-18(19(13-25)29-16)24-20(26)14-2-1-10-22-12-14/h1-4,6-7,10,12,16,18-19,23,25H,5,8-9,11,13H2,(H,24,26)/t16-,18-,19+/m1/s1
InChIKeyCPSQSDGHTZCQHA-QRQLOZEOSA-N
XLogP1.23
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide (CID 54644034) is N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)c1cccnc1.
What is the InChIKey of N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide?
The InChIKey is CPSQSDGHTZCQHA-QRQLOZEOSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c21-15-3-6-17(7-4-15)30(27,28)23-11-9-16-5-8-18(19(13-25)29-16)24-20(26)14-2-1-10-22-12-14/h1-4,6-7,10,12,16,18-19,23,25H,5,8-9,11,13H2,(H,24,26)/t16-,18-,19+/m1/s1.
What are the key properties of N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide?
N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 54644034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).