6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

C19H22N5O2+ — CID 7282945

IUPAC6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESC=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C(C)C)c1N
InChIInChI=1S/C19H21N5O2/c1-5-8-21-18(25)13-10-14-17(24(11(2)3)15(13)20)22-16-12(4)7-6-9-23(16)19(14)26/h5-7,9-11,20H,1,8H2,2-4H3,(H,21,25)/p+1
InChIKeyBMLJEFWJCVLDIT-UHFFFAOYSA-O
MW352.42 g/mol
LogP1.52
Rot. Bonds4

About 6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (PubChem CID 7282945) has the molecular formula C19H22N5O2+ and a molecular weight of 352.42 g/mol. Its IUPAC name is 6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-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-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
PubChem CID7282945
Molecular FormulaC19H22N5O2+
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESC=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C(C)C)c1N
InChIInChI=1S/C19H21N5O2/c1-5-8-21-18(25)13-10-14-17(24(11(2)3)15(13)20)22-16-12(4)7-6-9-23(16)19(14)26/h5-7,9-11,20H,1,8H2,2-4H3,(H,21,25)/p+1
InChIKeyBMLJEFWJCVLDIT-UHFFFAOYSA-O
XLogP1.52
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-[(2R)-butan-2-yl]-N-ethyl-11-methyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 6961592
6-amino-11-methyl-2-oxo-7-[[(2S)-oxolan-2-yl]methyl]-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 7279518
6-amino-N,7-diethyl-11-methyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 3547587
6-amino-N-ethyl-11-methyl-2-oxo-7-propyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 3327297
ethyl 6-amino-7-[(2S)-butan-2-yl]-11-methyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxylate
CID 6963839
6-amino-N-butyl-7,11-dimethyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 7524644
6-amino-N-benzyl-7,11-dimethyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 7460589
6-amino-N-ethyl-13-methyl-2-oxo-7-propan-2-yl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 6964112
6-amino-7-ethyl-N-[(4-fluorophenyl)methyl]-11-methyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 7528947
6-amino-N,11-dimethyl-2-oxo-7-(2-phenylethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 7396244
6-amino-N-butyl-11-methyl-2-oxo-7-(pyridin-4-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 2010698
6-amino-11-methyl-2-oxo-7-propyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 3321593

Frequently Asked Questions

What is the IUPAC name of 6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-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-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (CID 7282945) is 6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-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-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-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-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C(C)C)c1N.
What is the InChIKey of 6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The InChIKey is BMLJEFWJCVLDIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N5O2/c1-5-8-21-18(25)13-10-14-17(24(11(2)3)15(13)20)22-16-12(4)7-6-9-23(16)19(14)26/h5-7,9-11,20H,1,8H2,2-4H3,(H,21,25)/p+1.
What are the key properties of 6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-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 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-11-methyl-2-oxo-7-propan-2-yl-N-prop-2-enyl-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 7282945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).