6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

C20H25N5O3 — CID 653603

IUPAC6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc2n1C(C)C
InChIInChI=1S/C20H25N5O3/c1-12(2)25-16(21)14(19(26)22-8-6-10-28-4)11-15-18(25)23-17-13(3)7-5-9-24(17)20(15)27/h5,7,9,11-12,21H,6,8,10H2,1-4H3,(H,22,26)/b21-16+
InChIKeyOJSAJGLDCHIERS-LTGZKZEYSA-N
MW383.45 g/mol
LogP1.78
Rot. Bonds6

About 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 653603) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID653603
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc2n1C(C)C
InChIInChI=1S/C20H25N5O3/c1-12(2)25-16(21)14(19(26)22-8-6-10-28-4)11-15-18(25)23-17-13(3)7-5-9-24(17)20(15)27/h5,7,9,11-12,21H,6,8,10H2,1-4H3,(H,22,26)/b21-16+
InChIKeyOJSAJGLDCHIERS-LTGZKZEYSA-N
XLogP1.78
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The IUPAC name of 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 653603) is 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The canonical SMILES for 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is [H]/N=c1\c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc2n1C(C)C.
What is the InChIKey of 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is OJSAJGLDCHIERS-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12(2)25-16(21)14(19(26)22-8-6-10-28-4)11-15-18(25)23-17-13(3)7-5-9-24(17)20(15)27/h5,7,9,11-12,21H,6,8,10H2,1-4H3,(H,22,26)/b21-16+.
What are the key properties of 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 653603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).