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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Related Compounds

1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one
CID 110143461
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136586585
3,5-dimethyl-N-pyrazin-2-ylpiperidine-1-carboxamide
CID 108893834
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-[2-[2-[(3R)-3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834932
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
CID 72901641
N-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
N,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 130233945
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373

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).