7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

C22H25N5O3 — CID 2929091

IUPAC7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc2n1C1CCCC1
InChIInChI=1S/C22H25N5O3/c23-19-16(21(28)24-13-15-8-5-11-30-15)12-17-20(27(19)14-6-1-2-7-14)25-18-9-3-4-10-26(18)22(17)29/h3-4,9-10,12,14-15,23H,1-2,5-8,11,13H2,(H,24,28)/b23-19+
InChIKeyJQEAVWONIQJLNL-FCDQGJHFSA-N
MW407.47 g/mol
LogP2.15
Rot. Bonds4

About 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 2929091) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID2929091
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc2n1C1CCCC1
InChIInChI=1S/C22H25N5O3/c23-19-16(21(28)24-13-15-8-5-11-30-15)12-17-20(27(19)14-6-1-2-7-14)25-18-9-3-4-10-26(18)22(17)29/h3-4,9-10,12,14-15,23H,1-2,5-8,11,13H2,(H,24,28)/b23-19+
InChIKeyJQEAVWONIQJLNL-FCDQGJHFSA-N
XLogP2.15
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The IUPAC name of 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 2929091) is 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The canonical SMILES for 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is [H]/N=c1\c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is JQEAVWONIQJLNL-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H25N5O3/c23-19-16(21(28)24-13-15-8-5-11-30-15)12-17-20(27(19)14-6-1-2-7-14)25-18-9-3-4-10-26(18)22(17)29/h3-4,9-10,12,14-15,23H,1-2,5-8,11,13H2,(H,24,28)/b23-19+.
What are the key properties of 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-6-imino-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 2929091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).