6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

C24H25N6O3+ — CID 6963729

IUPAC6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCc1cccn2c(=O)c3cc(C(=O)NC[C@H]4CCCO4)c(N)[n+](Cc4cccnc4)c3nc12
InChIInChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(23(31)27-13-17-7-4-10-33-17)20(25)30(22)14-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)/p+1/t17-/m1/s1
InChIKeyAFJDCYRFFYKKSA-QGZVFWFLSA-O
MW445.50 g/mol
LogP1.38
Rot. Bonds5

About 6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-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-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (PubChem CID 6963729) has the molecular formula C24H25N6O3+ and a molecular weight of 445.50 g/mol. Its IUPAC name is 6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-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-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
PubChem CID6963729
Molecular FormulaC24H25N6O3+
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCc1cccn2c(=O)c3cc(C(=O)NC[C@H]4CCCO4)c(N)[n+](Cc4cccnc4)c3nc12
InChIInChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(23(31)27-13-17-7-4-10-33-17)20(25)30(22)14-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)/p+1/t17-/m1/s1
InChIKeyAFJDCYRFFYKKSA-QGZVFWFLSA-O
XLogP1.38
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.38
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-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide with MolForge

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Related Compounds

6-amino-N-butyl-11-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 2025898
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-[(4-fluorophenyl)methyl]-11-methyl-2-oxo-7-[[(2R)-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 2025816
6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 51422797
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-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-7-benzyl-N-[(2-chlorophenyl)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 2013342
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
7-ethyl-6-imino-11-methyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077479
6-imino-11-methyl-2-oxo-N,7-bis[[(2S)-oxolan-2-yl]methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 6549437
6-imino-11-methyl-2-oxo-N,7-bis(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151316
6-imino-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077424

Frequently Asked Questions

What is the IUPAC name of 6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-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-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (CID 6963729) is 6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-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-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-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-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is Cc1cccn2c(=O)c3cc(C(=O)NC[C@H]4CCCO4)c(N)[n+](Cc4cccnc4)c3nc12.
What is the InChIKey of 6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The InChIKey is AFJDCYRFFYKKSA-QGZVFWFLSA-O. The full InChI is InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(23(31)27-13-17-7-4-10-33-17)20(25)30(22)14-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)/p+1/t17-/m1/s1.
What are the key properties of 6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-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-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-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 445.50 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-11-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-7-(pyridin-3-ylmethyl)-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 6963729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).