6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide

C27H27FN6O2 — CID 67268351

IUPAC6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3nc2NCCO)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H27FN6O2/c28-20-5-3-4-18(16-20)22-9-8-19(17-30-22)27(36)31-21-10-13-34(14-11-21)26-25(29-12-15-35)32-23-6-1-2-7-24(23)33-26/h1-9,16-17,21,35H,10-15H2,(H,29,32)(H,31,36)
InChIKeyFEPDXMDPMMCIST-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.63
Rot. Bonds7

About 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268351) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268351
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC Name6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3nc2NCCO)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H27FN6O2/c28-20-5-3-4-18(16-20)22-9-8-19(17-30-22)27(36)31-21-10-13-34(14-11-21)26-25(29-12-15-35)32-23-6-1-2-7-24(23)33-26/h1-9,16-17,21,35H,10-15H2,(H,29,32)(H,31,36)
InChIKeyFEPDXMDPMMCIST-UHFFFAOYSA-N
XLogP3.63
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268351) is 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2nc3ccccc3nc2NCCO)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FEPDXMDPMMCIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2/c28-20-5-3-4-18(16-20)22-9-8-19(17-30-22)27(36)31-21-10-13-34(14-11-21)26-25(29-12-15-35)32-23-6-1-2-7-24(23)33-26/h1-9,16-17,21,35H,10-15H2,(H,29,32)(H,31,36).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[3-(2-hydroxyethylamino)quinoxalin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).