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

C16H18N4O2 — CID 129003341

IUPAC3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C16H18N4O2/c17-15-13(18-7-8-19-15)16(21)20-10-12-6-9-22-14(12)11-4-2-1-3-5-11/h1-5,7-8,12,14H,6,9-10H2,(H2,17,19)(H,20,21)/t12-,14-/m1/s1
InChIKeyUSMYYDUGBFHXRR-TZMCWYRMSA-N
MW298.35 g/mol
LogP1.57
Rot. Bonds4

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

3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 129003341) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID129003341
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C16H18N4O2/c17-15-13(18-7-8-19-15)16(21)20-10-12-6-9-22-14(12)11-4-2-1-3-5-11/h1-5,7-8,12,14H,6,9-10H2,(H2,17,19)(H,20,21)/t12-,14-/m1/s1
InChIKeyUSMYYDUGBFHXRR-TZMCWYRMSA-N
XLogP1.57
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701781
5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129000874
6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
5-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120701801
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144
3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide
CID 119137849
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
2-(1,2-oxazol-3-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]acetamide
CID 129002650
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129328039
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129004071

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide (CID 129003341) is 3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of 3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is USMYYDUGBFHXRR-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-15-13(18-7-8-19-15)16(21)20-10-12-6-9-22-14(12)11-4-2-1-3-5-11/h1-5,7-8,12,14H,6,9-10H2,(H2,17,19)(H,20,21)/t12-,14-/m1/s1.
What are the key properties of 3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 129003341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).