1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide

C16H22N4O3 — CID 91626098

IUPAC1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCC(Oc3cnccn3)CC2)CC1=O
InChIInChI=1S/C16H22N4O3/c1-20-10-11(8-15(20)21)16(22)19-12-2-4-13(5-3-12)23-14-9-17-6-7-18-14/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,19,22)
InChIKeyZBBPAONJDOIIKC-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.76
Rot. Bonds4

About 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide

1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide (PubChem CID 91626098) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
PubChem CID91626098
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCC(Oc3cnccn3)CC2)CC1=O
InChIInChI=1S/C16H22N4O3/c1-20-10-11(8-15(20)21)16(22)19-12-2-4-13(5-3-12)23-14-9-17-6-7-18-14/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,19,22)
InChIKeyZBBPAONJDOIIKC-UHFFFAOYSA-N
XLogP0.76
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide (CID 91626098) is 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide is CN1CC(C(=O)NC2CCC(Oc3cnccn3)CC2)CC1=O.
What is the InChIKey of 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide?
The InChIKey is ZBBPAONJDOIIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-20-10-11(8-15(20)21)16(22)19-12-2-4-13(5-3-12)23-14-9-17-6-7-18-14/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,19,22).
What are the key properties of 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide?
1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91626098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).