6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C20H23N5O3 — CID 3239936

IUPAC6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cccn2c(=O)c3cc(C(=O)NCCCN4CCCC4=O)n(C)c3nc12
InChIInChI=1S/C20H23N5O3/c1-13-6-3-11-25-17(13)22-18-14(20(25)28)12-15(23(18)2)19(27)21-8-5-10-24-9-4-7-16(24)26/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,21,27)
InChIKeyKCENDWSEHXDHAT-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.24
Rot. Bonds5

About 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3239936) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3239936
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cccn2c(=O)c3cc(C(=O)NCCCN4CCCC4=O)n(C)c3nc12
InChIInChI=1S/C20H23N5O3/c1-13-6-3-11-25-17(13)22-18-14(20(25)28)12-15(23(18)2)19(27)21-8-5-10-24-9-4-7-16(24)26/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,21,27)
InChIKeyKCENDWSEHXDHAT-UHFFFAOYSA-N
XLogP1.24
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3239936) is 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCCC4=O)n(C)c3nc12.
What is the InChIKey of 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is KCENDWSEHXDHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-6-3-11-25-17(13)22-18-14(20(25)28)12-15(23(18)2)19(27)21-8-5-10-24-9-4-7-16(24)26/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,21,27).
What are the key properties of 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 3239936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).