6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C19H24N5O3+ — CID 4524522

IUPAC6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C19H23N5O3/c1-22-15(18(25)20-6-4-7-23-9-11-27-12-10-23)13-14-17(22)21-16-5-2-3-8-24(16)19(14)26/h2-3,5,8,13H,4,6-7,9-12H2,1H3,(H,20,25)/p+1
InChIKeySZFXNZHHGWHLHI-UHFFFAOYSA-O
MW370.43 g/mol
LogP-0.78
Rot. Bonds5

About 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 4524522) has the molecular formula C19H24N5O3+ and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID4524522
Molecular FormulaC19H24N5O3+
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C19H23N5O3/c1-22-15(18(25)20-6-4-7-23-9-11-27-12-10-23)13-14-17(22)21-16-5-2-3-8-24(16)19(14)26/h2-3,5,8,13H,4,6-7,9-12H2,1H3,(H,20,25)/p+1
InChIKeySZFXNZHHGWHLHI-UHFFFAOYSA-O
XLogP-0.78
TPSA82.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Related Compounds

N-(3-methoxypropyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4189020
6-methyl-N-(2-methylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852292
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-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 8003951
N-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 984704
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 6963176
6-methyl-N-methylsulfonyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 146154460
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
N-(4-fluorophenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3670742
N-(5-chloro-2-methylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3682298
N-(2-ethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3671146
6-methyl-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 7030389

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 4524522) is 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c(=O)n3ccccc3nc21.
What is the InChIKey of 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is SZFXNZHHGWHLHI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N5O3/c1-22-15(18(25)20-6-4-7-23-9-11-27-12-10-23)13-14-17(22)21-16-5-2-3-8-24(16)19(14)26/h2-3,5,8,13H,4,6-7,9-12H2,1H3,(H,20,25)/p+1.
What are the key properties of 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 4524522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).