6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

C23H29N6O3+ — CID 6961587

IUPAC6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1
InChIInChI=1S/C23H28N6O3/c24-20-17(22(30)25-8-10-27-11-13-32-14-12-27)15-18-21(29(20)16-5-1-2-6-16)26-19-7-3-4-9-28(19)23(18)31/h3-4,7,9,15-16,24H,1-2,5-6,8,10-14H2,(H,25,30)/p+1
InChIKeyYPWCXXFHARYVQC-UHFFFAOYSA-O
MW437.52 g/mol
LogP0.89
Rot. Bonds5

About 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (PubChem CID 6961587) has the molecular formula C23H29N6O3+ and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.

Molecular Properties

Compound Name6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
PubChem CID6961587
Molecular FormulaC23H29N6O3+
Molecular Weight437.52 g/mol
Exact Mass437.23
IUPAC Name6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1
InChIInChI=1S/C23H28N6O3/c24-20-17(22(30)25-8-10-27-11-13-32-14-12-27)15-18-21(29(20)16-5-1-2-6-16)26-19-7-3-4-9-28(19)23(18)31/h3-4,7,9,15-16,24H,1-2,5-6,8,10-14H2,(H,25,30)/p+1
InChIKeyYPWCXXFHARYVQC-UHFFFAOYSA-O
XLogP0.89
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-7-cyclopentyl-2-oxo-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 6963830
6-amino-7-[2-(4-methoxyphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 2033239
6-amino-N-[(4-methoxyphenyl)methyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 2017829
6-amino-N-cyclohexyl-7-methyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 7123956
6-amino-N-cyclopentyl-2-oxo-7-[[(2S)-oxolan-2-yl]methyl]-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 7461300
6-amino-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 6963700
6-amino-N-cyclopentyl-2-oxo-7-(3-propan-2-yloxypropyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 2043414
6-amino-N-cyclohexyl-7-[(4-fluorophenyl)methyl]-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 2023492
6-amino-7-[(2S)-butan-2-yl]-N-ethyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 6924390
6-amino-7-butyl-N-(2-methylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 2016989
6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 6963767
6-amino-N-[(2-chlorophenyl)methyl]-7-methyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 7528610

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The IUPAC name of 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (CID 6961587) is 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.
What is the SMILES notation for 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The canonical SMILES for 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is Nc1c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1.
What is the InChIKey of 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The InChIKey is YPWCXXFHARYVQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N6O3/c24-20-17(22(30)25-8-10-27-11-13-32-14-12-27)15-18-21(29(20)16-5-1-2-6-16)26-19-7-3-4-9-28(19)23(18)31/h3-4,7,9,15-16,24H,1-2,5-6,8,10-14H2,(H,25,30)/p+1.
What are the key properties of 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is sourced from PubChem (CID 6961587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).