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

C23H28N5O2+ — CID 7269035

IUPACN-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCc1ccc2[nH+]c3nc(NC4CCCC4)c(C(=O)NC4CCCC4)cc3c(=O)n2c1
InChIInChI=1S/C23H27N5O2/c1-14-10-11-19-26-21-18(23(30)28(19)13-14)12-17(22(29)25-16-8-4-5-9-16)20(27-21)24-15-6-2-3-7-15/h10-13,15-16H,2-9H2,1H3,(H,24,27)(H,25,29)/p+1
InChIKeyYBGAFRSMCXFMNI-UHFFFAOYSA-O
MW406.51 g/mol
LogP3.00
Rot. Bonds4

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

N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (PubChem CID 7269035) has the molecular formula C23H28N5O2+ and a molecular weight of 406.51 g/mol. Its IUPAC name is N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
PubChem CID7269035
Molecular FormulaC23H28N5O2+
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC NameN-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCc1ccc2[nH+]c3nc(NC4CCCC4)c(C(=O)NC4CCCC4)cc3c(=O)n2c1
InChIInChI=1S/C23H27N5O2/c1-14-10-11-19-26-21-18(23(30)28(19)13-14)12-17(22(29)25-16-8-4-5-9-16)20(27-21)24-15-6-2-3-7-15/h10-13,15-16H,2-9H2,1H3,(H,24,27)(H,25,29)/p+1
InChIKeyYBGAFRSMCXFMNI-UHFFFAOYSA-O
XLogP3.00
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-cyclohexyl-7-(2-methoxyethyl)-13-methyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 7279584
N-cyclopentyl-7-hexyl-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 3372195
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-cyclohexyl-6-imino-13-methyl-2-oxo-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 5160755
4-[(2-cyclopropyl-8-methyl-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146442509
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228
N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 42749913
N-cyclohexyl-6-imino-7,11-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1236735
N-cycloheptyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The IUPAC name of N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (CID 7269035) is N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is Cc1ccc2[nH+]c3nc(NC4CCCC4)c(C(=O)NC4CCCC4)cc3c(=O)n2c1.
What is the InChIKey of N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The InChIKey is YBGAFRSMCXFMNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H27N5O2/c1-14-10-11-19-26-21-18(23(30)28(19)13-14)12-17(22(29)25-16-8-4-5-9-16)20(27-21)24-15-6-2-3-7-15/h10-13,15-16H,2-9H2,1H3,(H,24,27)(H,25,29)/p+1.
What are the key properties of N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(cyclopentylamino)-13-methyl-2-oxo-1,7-diaza-9-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is sourced from PubChem (CID 7269035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).