5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide

C17H19N3O2 — CID 129000874

IUPAC5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C17H19N3O2/c1-12-9-19-15(11-18-12)17(21)20-10-14-7-8-22-16(14)13-5-3-2-4-6-13/h2-6,9,11,14,16H,7-8,10H2,1H3,(H,20,21)/t14-,16-/m1/s1
InChIKeyULKQIJMLGBGRSU-GDBMZVCRSA-N
MW297.36 g/mol
LogP2.29
Rot. Bonds4

About 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide

5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 129000874) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID129000874
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C17H19N3O2/c1-12-9-19-15(11-18-12)17(21)20-10-14-7-8-22-16(14)13-5-3-2-4-6-13/h2-6,9,11,14,16H,7-8,10H2,1H3,(H,20,21)/t14-,16-/m1/s1
InChIKeyULKQIJMLGBGRSU-GDBMZVCRSA-N
XLogP2.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129003341
4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701781
4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129002182
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129000910
5-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120701801
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
1-(2-methoxyethyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 126772714
2-(1,2-oxazol-3-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]acetamide
CID 129002650

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide (CID 129000874) is 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is ULKQIJMLGBGRSU-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-9-19-15(11-18-12)17(21)20-10-14-7-8-22-16(14)13-5-3-2-4-6-13/h2-6,9,11,14,16H,7-8,10H2,1H3,(H,20,21)/t14-,16-/m1/s1.
What are the key properties of 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide?
5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 129000874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).