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

C19H19N5O2 — CID 2930242

IUPAC6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-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)NCC=C)cc2c(=O)n3cc(C)ccc3nc2n1CC=C
InChIInChI=1S/C19H19N5O2/c1-4-8-21-18(25)13-10-14-17(23(9-5-2)16(13)20)22-15-7-6-12(3)11-24(15)19(14)26/h4-7,10-11,20H,1-2,8-9H2,3H3,(H,21,25)/b20-16+
InChIKeyFXMWMYOYDVHBOK-CAPFRKAQSA-N
MW349.39 g/mol
LogP1.54
Rot. Bonds5

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

6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 2930242) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID2930242
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-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)NCC=C)cc2c(=O)n3cc(C)ccc3nc2n1CC=C
InChIInChI=1S/C19H19N5O2/c1-4-8-21-18(25)13-10-14-17(23(9-5-2)16(13)20)22-15-7-6-12(3)11-24(15)19(14)26/h4-7,10-11,20H,1-2,8-9H2,3H3,(H,21,25)/b20-16+
InChIKeyFXMWMYOYDVHBOK-CAPFRKAQSA-N
XLogP1.54
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-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-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 2930242) is 6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-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-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-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-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-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)NCC=C)cc2c(=O)n3cc(C)ccc3nc2n1CC=C.
What is the InChIKey of 6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is FXMWMYOYDVHBOK-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-4-8-21-18(25)13-10-14-17(23(9-5-2)16(13)20)22-15-7-6-12(3)11-24(15)19(14)26/h4-7,10-11,20H,1-2,8-9H2,3H3,(H,21,25)/b20-16+.
What are the key properties of 6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-13-methyl-2-oxo-N,7-bis(prop-2-enyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 2930242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).