6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide

C16H17FN4O3 — CID 91779488

IUPAC6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN4O3/c17-10-1-3-11(4-2-10)24-14-5-6-23-9-13(14)21-15-8-19-7-12(20-15)16(18)22/h1-4,7-8,13-14H,5-6,9H2,(H2,18,22)(H,20,21)/t13-,14+/m1/s1
InChIKeySHXJFPKZRNRKJS-KGLIPLIRSA-N
MW332.34 g/mol
LogP1.36
Rot. Bonds5

About 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide

6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide (PubChem CID 91779488) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide
PubChem CID91779488
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN4O3/c17-10-1-3-11(4-2-10)24-14-5-6-23-9-13(14)21-15-8-19-7-12(20-15)16(18)22/h1-4,7-8,13-14H,5-6,9H2,(H2,18,22)(H,20,21)/t13-,14+/m1/s1
InChIKeySHXJFPKZRNRKJS-KGLIPLIRSA-N
XLogP1.36
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 159466237
CID 162113004
CID 162113004
CID 163621036
CID 163621036
CID 166023632
CID 166023632
CID 166023642
CID 166023642
CID 166023643
CID 166023643
CID 166023644
CID 166023644
CID 166023648
CID 166023648
CID 166023666
CID 166023666

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide (CID 91779488) is 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide is NC(=O)c1cncc(N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)n1.
What is the InChIKey of 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide?
The InChIKey is SHXJFPKZRNRKJS-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-10-1-3-11(4-2-10)24-14-5-6-23-9-13(14)21-15-8-19-7-12(20-15)16(18)22/h1-4,7-8,13-14H,5-6,9H2,(H2,18,22)(H,20,21)/t13-,14+/m1/s1.
What are the key properties of 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide?
6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4S)-4-(4-fluorophenoxy)oxan-3-yl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 91779488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).