6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid

C17H17N3O4 — CID 126437683

IUPAC6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-c2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C17H17N3O4/c21-16(19-8-13-2-1-7-24-13)12-5-3-11(4-6-12)14-9-18-10-15(20-14)17(22)23/h3-6,9-10,13H,1-2,7-8H2,(H,19,21)(H,22,23)/t13-/m0/s1
InChIKeyFZXXGCHOFRZXJA-ZDUSSCGKSA-N
MW327.34 g/mol
LogP1.75
Rot. Bonds5

About 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid

6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid (PubChem CID 126437683) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid
PubChem CID126437683
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-c2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C17H17N3O4/c21-16(19-8-13-2-1-7-24-13)12-5-3-11(4-6-12)14-9-18-10-15(20-14)17(22)23/h3-6,9-10,13H,1-2,7-8H2,(H,19,21)(H,22,23)/t13-/m0/s1
InChIKeyFZXXGCHOFRZXJA-ZDUSSCGKSA-N
XLogP1.75
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126429778
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
CID 92882462
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid (CID 126437683) is 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid is O=C(NC[C@@H]1CCCO1)c1ccc(-c2cncc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid?
The InChIKey is FZXXGCHOFRZXJA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-16(19-8-13-2-1-7-24-13)12-5-3-11(4-6-12)14-9-18-10-15(20-14)17(22)23/h3-6,9-10,13H,1-2,7-8H2,(H,19,21)(H,22,23)/t13-/m0/s1.
What are the key properties of 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid?
6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 126437683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).