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

C20H23N5O2 — CID 1077535

IUPAC7-cyclopentyl-N-ethyl-6-imino-13-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)NCC)cc2c(=O)n3cc(C)ccc3nc2n1C1CCCC1
InChIInChI=1S/C20H23N5O2/c1-3-22-19(26)14-10-15-18(25(17(14)21)13-6-4-5-7-13)23-16-9-8-12(2)11-24(16)20(15)27/h8-11,13,21H,3-7H2,1-2H3,(H,22,26)/b21-17+
InChIKeyMUQGTQKQPIOHDK-HEHNFIMWSA-N
MW365.44 g/mol
LogP2.30
Rot. Bonds3

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

7-cyclopentyl-N-ethyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 1077535) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 7-cyclopentyl-N-ethyl-6-imino-13-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 Name7-cyclopentyl-N-ethyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID1077535
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name7-cyclopentyl-N-ethyl-6-imino-13-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)NCC)cc2c(=O)n3cc(C)ccc3nc2n1C1CCCC1
InChIInChI=1S/C20H23N5O2/c1-3-22-19(26)14-10-15-18(25(17(14)21)13-6-4-5-7-13)23-16-9-8-12(2)11-24(16)20(15)27/h8-11,13,21H,3-7H2,1-2H3,(H,22,26)/b21-17+
InChIKeyMUQGTQKQPIOHDK-HEHNFIMWSA-N
XLogP2.30
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.30
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 7-cyclopentyl-N-ethyl-6-imino-13-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 7-cyclopentyl-N-ethyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 1077535) is 7-cyclopentyl-N-ethyl-6-imino-13-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 7-cyclopentyl-N-ethyl-6-imino-13-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 7-cyclopentyl-N-ethyl-6-imino-13-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)NCC)cc2c(=O)n3cc(C)ccc3nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N-ethyl-6-imino-13-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 MUQGTQKQPIOHDK-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-22-19(26)14-10-15-18(25(17(14)21)13-6-4-5-7-13)23-16-9-8-12(2)11-24(16)20(15)27/h8-11,13,21H,3-7H2,1-2H3,(H,22,26)/b21-17+.
What are the key properties of 7-cyclopentyl-N-ethyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
7-cyclopentyl-N-ethyl-6-imino-13-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 365.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N-ethyl-6-imino-13-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 1077535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).