N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide

C20H23F2N5O4 — CID 54639527

IUPACN-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCNC(=O)c2cnccn2)O[C@@H]1CO
InChIInChI=1S/C20H23F2N5O4/c21-12-1-3-14(22)16(9-12)27-20(30)26-15-4-2-13(31-18(15)11-28)5-6-25-19(29)17-10-23-7-8-24-17/h1,3,7-10,13,15,18,28H,2,4-6,11H2,(H,25,29)(H2,26,27,30)/t13-,15+,18+/m0/s1
InChIKeyAWOFXEOJWLHGJO-JCKWVBRZSA-N
MW435.43 g/mol
LogP1.60
Rot. Bonds7

About N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide

N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 54639527) has the molecular formula C20H23F2N5O4 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
PubChem CID54639527
Molecular FormulaC20H23F2N5O4
Molecular Weight435.43 g/mol
Exact Mass435.17
IUPAC NameN-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCNC(=O)c2cnccn2)O[C@@H]1CO
InChIInChI=1S/C20H23F2N5O4/c21-12-1-3-14(22)16(9-12)27-20(30)26-15-4-2-13(31-18(15)11-28)5-6-25-19(29)17-10-23-7-8-24-17/h1,3,7-10,13,15,18,28H,2,4-6,11H2,(H,25,29)(H2,26,27,30)/t13-,15+,18+/m0/s1
InChIKeyAWOFXEOJWLHGJO-JCKWVBRZSA-N
XLogP1.60
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2R,5S,6R)-5-[(2-fluorobenzoyl)amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54645303
N-[(2R,3S,6S)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640111
N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640109
N-[(2S,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640425
N-[2-[(2S,5S,6S)-5-(cyclobutanecarbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54640588
N-[(2R,3S,6S)-6-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54645338
N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
CID 91903616
N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640884
N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54642675
2-[(2R,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 54639244
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54638596
2-[(2R,5S,6R)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]-N-phenylacetamide
CID 54644592

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide (CID 54639527) is N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide is O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCNC(=O)c2cnccn2)O[C@@H]1CO.
What is the InChIKey of N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is AWOFXEOJWLHGJO-JCKWVBRZSA-N. The full InChI is InChI=1S/C20H23F2N5O4/c21-12-1-3-14(22)16(9-12)27-20(30)26-15-4-2-13(31-18(15)11-28)5-6-25-19(29)17-10-23-7-8-24-17/h1,3,7-10,13,15,18,28H,2,4-6,11H2,(H,25,29)(H2,26,27,30)/t13-,15+,18+/m0/s1.
What are the key properties of N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 54639527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).