4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C23H24N4O3 — CID 118046093

IUPAC4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ncc([C@@H]2CCOC2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C23H24N4O3/c24-22-21(26-19(12-25-22)18-10-11-30-14-18)16-6-8-17(9-7-16)23(29)27-20(13-28)15-4-2-1-3-5-15/h1-9,12,18,20,28H,10-11,13-14H2,(H2,24,25)(H,27,29)/t18-,20-/m1/s1
InChIKeyNNJVQVNAIFZJPS-UYAOXDASSA-N
MW404.47 g/mol
LogP2.69
Rot. Bonds6

About 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 118046093) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID118046093
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ncc([C@@H]2CCOC2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C23H24N4O3/c24-22-21(26-19(12-25-22)18-10-11-30-14-18)16-6-8-17(9-7-16)23(29)27-20(13-28)15-4-2-1-3-5-15/h1-9,12,18,20,28H,10-11,13-14H2,(H2,24,25)(H,27,29)/t18-,20-/m1/s1
InChIKeyNNJVQVNAIFZJPS-UYAOXDASSA-N
XLogP2.69
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 118046093) is 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Nc1ncc([C@@H]2CCOC2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is NNJVQVNAIFZJPS-UYAOXDASSA-N. The full InChI is InChI=1S/C23H24N4O3/c24-22-21(26-19(12-25-22)18-10-11-30-14-18)16-6-8-17(9-7-16)23(29)27-20(13-28)15-4-2-1-3-5-15/h1-9,12,18,20,28H,10-11,13-14H2,(H2,24,25)(H,27,29)/t18-,20-/m1/s1.
What are the key properties of 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-[(3S)-oxolan-3-yl]pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 118046093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).