About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (PubChem CID 71525670) has the molecular formula C19H26N4O3
and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.
Molecular Properties
| Compound Name | 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide |
| PubChem CID | 71525670 |
| Molecular Formula | C19H26N4O3 |
| Molecular Weight | 358.44 g/mol |
| Exact Mass | 358.20 |
| IUPAC Name | 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide |
| SMILES | CNC(=O)[C@H](CC1CC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |
| InChI | InChI=1S/C19H26N4O3/c1-20-17(24)14(8-11-2-3-11)22-18(25)15-9-21-16(13-6-7-13)19(23-15)26-10-12-4-5-12/h9,11-14H,2-8,10H2,1H3,(H,20,24)(H,22,25)/t14-/m0/s1 |
| InChIKey | OVOUZJZYSYUYSK-AWEZNQCLSA-N |
| XLogP | 1.79 |
| TPSA | 93.21 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 358.44 |
| LogP ≤ 5 | 1.79 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (CID 71525670) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is CNC(=O)[C@H](CC1CC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is OVOUZJZYSYUYSK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-20-17(24)14(8-11-2-3-11)22-18(25)15-9-21-16(13-6-7-13)19(23-15)26-10-12-4-5-12/h9,11-14H,2-8,10H2,1H3,(H,20,24)(H,22,25)/t14-/m0/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71525670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).