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

C23H27N5O2 — CID 653589

IUPACN,7-dicyclopentyl-6-imino-11-methyl-2-oxo-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)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc2n1C1CCCC1
InChIInChI=1S/C23H27N5O2/c1-14-7-6-12-27-20(14)26-21-18(23(27)30)13-17(22(29)25-15-8-2-3-9-15)19(24)28(21)16-10-4-5-11-16/h6-7,12-13,15-16,24H,2-5,8-11H2,1H3,(H,25,29)/b24-19+
InChIKeyOTOYPUZUQZCTOG-LYBHJNIJSA-N
MW405.50 g/mol
LogP3.22
Rot. Bonds3

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

N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 653589) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound NameN,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID653589
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN,7-dicyclopentyl-6-imino-11-methyl-2-oxo-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)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc2n1C1CCCC1
InChIInChI=1S/C23H27N5O2/c1-14-7-6-12-27-20(14)26-21-18(23(27)30)13-17(22(29)25-15-8-2-3-9-15)19(24)28(21)16-10-4-5-11-16/h6-7,12-13,15-16,24H,2-5,8-11H2,1H3,(H,25,29)/b24-19+
InChIKeyOTOYPUZUQZCTOG-LYBHJNIJSA-N
XLogP3.22
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The IUPAC name of N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 653589) is N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-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 N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The canonical SMILES for N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-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)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc2n1C1CCCC1.
What is the InChIKey of N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is OTOYPUZUQZCTOG-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-7-6-12-27-20(14)26-21-18(23(27)30)13-17(22(29)25-15-8-2-3-9-15)19(24)28(21)16-10-4-5-11-16/h6-7,12-13,15-16,24H,2-5,8-11H2,1H3,(H,25,29)/b24-19+.
What are the key properties of N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 653589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).