1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea

C19H27N5O3 — CID 59293476

IUPAC1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea
SMILESCC1C=CC(OCCCN2CCCC2=O)C(NC(=O)Nc2cnccn2)C1
InChIInChI=1S/C19H27N5O3/c1-14-5-6-16(27-11-3-10-24-9-2-4-18(24)25)15(12-14)22-19(26)23-17-13-20-7-8-21-17/h5-8,13-16H,2-4,9-12H2,1H3,(H2,21,22,23,26)
InChIKeyAGNIRDKYIDRCPZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.96
Rot. Bonds7

About 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea

1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea (PubChem CID 59293476) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea
PubChem CID59293476
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea
SMILESCC1C=CC(OCCCN2CCCC2=O)C(NC(=O)Nc2cnccn2)C1
InChIInChI=1S/C19H27N5O3/c1-14-5-6-16(27-11-3-10-24-9-2-4-18(24)25)15(12-14)22-19(26)23-17-13-20-7-8-21-17/h5-8,13-16H,2-4,9-12H2,1H3,(H2,21,22,23,26)
InChIKeyAGNIRDKYIDRCPZ-UHFFFAOYSA-N
XLogP1.96
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea (CID 59293476) is 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea is CC1C=CC(OCCCN2CCCC2=O)C(NC(=O)Nc2cnccn2)C1.
What is the InChIKey of 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea?
The InChIKey is AGNIRDKYIDRCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-14-5-6-16(27-11-3-10-24-9-2-4-18(24)25)15(12-14)22-19(26)23-17-13-20-7-8-21-17/h5-8,13-16H,2-4,9-12H2,1H3,(H2,21,22,23,26).
What are the key properties of 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea?
1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea has a molecular weight of 373.46 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 59293476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).