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

C19H22N5O2+ — CID 7123956

IUPAC6-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
SMILESC[n+]1c(N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C19H21N5O2/c1-23-16(20)13(18(25)21-12-7-3-2-4-8-12)11-14-17(23)22-15-9-5-6-10-24(15)19(14)26/h5-6,9-12,20H,2-4,7-8H2,1H3,(H,21,25)/p+1
InChIKeyBSDCNFHOXLSPOE-UHFFFAOYSA-O
MW352.42 g/mol
LogP1.32
Rot. Bonds2

About 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

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 (PubChem CID 7123956) has the molecular formula C19H22N5O2+ and a molecular weight of 352.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID7123956
Molecular FormulaC19H22N5O2+
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name6-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
SMILESC[n+]1c(N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C19H21N5O2/c1-23-16(20)13(18(25)21-12-7-3-2-4-8-12)11-14-17(23)22-15-9-5-6-10-24(15)19(14)26/h5-6,9-12,20H,2-4,7-8H2,1H3,(H,21,25)/p+1
InChIKeyBSDCNFHOXLSPOE-UHFFFAOYSA-O
XLogP1.32
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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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-N-cyclohexyl-7-(furan-2-ylmethyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 3314768
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-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
N-cyclohexyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4524648
N-cyclopentyl-6-imino-7-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 936225
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
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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
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-[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[n+]1c(N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21.
What is the InChIKey of 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?
The InChIKey is BSDCNFHOXLSPOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N5O2/c1-23-16(20)13(18(25)21-12-7-3-2-4-8-12)11-14-17(23)22-15-9-5-6-10-24(15)19(14)26/h5-6,9-12,20H,2-4,7-8H2,1H3,(H,21,25)/p+1.
What are the key properties of 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?
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 has a molecular weight of 352.42 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 7123956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).