2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C20H35N5O3 — CID 123649506

IUPAC2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCNC(C)C(=O)NC(C(=O)N1CC2CCCN2CC1C(N)=O)C1CCCCC1
InChIInChI=1S/C20H35N5O3/c1-13(22-2)19(27)23-17(14-7-4-3-5-8-14)20(28)25-11-15-9-6-10-24(15)12-16(25)18(21)26/h13-17,22H,3-12H2,1-2H3,(H2,21,26)(H,23,27)
InChIKeyWXDOWGOZZUBKID-UHFFFAOYSA-N
MW393.53 g/mol
LogP-0.18
Rot. Bonds6

About 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide

2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 123649506) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID123649506
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC Name2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCNC(C)C(=O)NC(C(=O)N1CC2CCCN2CC1C(N)=O)C1CCCCC1
InChIInChI=1S/C20H35N5O3/c1-13(22-2)19(27)23-17(14-7-4-3-5-8-14)20(28)25-11-15-9-6-10-24(15)12-16(25)18(21)26/h13-17,22H,3-12H2,1-2H3,(H2,21,26)(H,23,27)
InChIKeyWXDOWGOZZUBKID-UHFFFAOYSA-N
XLogP-0.18
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 123649506) is 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CNC(C)C(=O)NC(C(=O)N1CC2CCCN2CC1C(N)=O)C1CCCCC1.
What is the InChIKey of 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is WXDOWGOZZUBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3/c1-13(22-2)19(27)23-17(14-7-4-3-5-8-14)20(28)25-11-15-9-6-10-24(15)12-16(25)18(21)26/h13-17,22H,3-12H2,1-2H3,(H2,21,26)(H,23,27).
What are the key properties of 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 123649506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).