N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide

C20H23FN4O3 — CID 110136179

IUPACN-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILESCC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cnccn2)O[C@@H](c2ccccc2F)C1
InChIInChI=1S/C20H23FN4O3/c1-13(26)25-14-10-15(6-7-24-20(27)18-12-22-8-9-23-18)28-19(11-14)16-4-2-3-5-17(16)21/h2-5,8-9,12,14-15,19H,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t14-,15+,19+/m0/s1
InChIKeyOXVNEHRADUBFIB-QMTMVMCOSA-N
MW386.43 g/mol
LogP2.16
Rot. Bonds6

About N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide

N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 110136179) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
PubChem CID110136179
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC NameN-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILESCC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cnccn2)O[C@@H](c2ccccc2F)C1
InChIInChI=1S/C20H23FN4O3/c1-13(26)25-14-10-15(6-7-24-20(27)18-12-22-8-9-23-18)28-19(11-14)16-4-2-3-5-17(16)21/h2-5,8-9,12,14-15,19H,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t14-,15+,19+/m0/s1
InChIKeyOXVNEHRADUBFIB-QMTMVMCOSA-N
XLogP2.16
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 175656500
N-[2-[(2R,5S,6R)-5-[(2-fluorobenzoyl)amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54645303
N-[2-[(2R,4S,6R)-4-acetamido-6-(3,5-difluorophenyl)oxan-2-yl]ethyl]-2-aminopyridine-3-carboxamide
CID 110136184
N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110744887
N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54639527
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54638596
N-[2-[(2S,5S,6S)-5-(cyclobutanecarbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54640588
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54642675
N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640884
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide (CID 110136179) is N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide is CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cnccn2)O[C@@H](c2ccccc2F)C1.
What is the InChIKey of N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is OXVNEHRADUBFIB-QMTMVMCOSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-13(26)25-14-10-15(6-7-24-20(27)18-12-22-8-9-23-18)28-19(11-14)16-4-2-3-5-17(16)21/h2-5,8-9,12,14-15,19H,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t14-,15+,19+/m0/s1.
What are the key properties of N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110136179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).