7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

C19H17N5O3 — CID 656063

IUPAC7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-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)NC)cc2c(=O)n3cc(C)ccc3nc2n1Cc1ccco1
InChIInChI=1S/C19H17N5O3/c1-11-5-6-15-22-17-14(19(26)23(15)9-11)8-13(18(25)21-2)16(20)24(17)10-12-4-3-7-27-12/h3-9,20H,10H2,1-2H3,(H,21,25)/b20-16+
InChIKeyPLLAVVLORZSFML-CAPFRKAQSA-N
MW363.38 g/mol
LogP1.44
Rot. Bonds3

About 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 656063) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID656063
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-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)NC)cc2c(=O)n3cc(C)ccc3nc2n1Cc1ccco1
InChIInChI=1S/C19H17N5O3/c1-11-5-6-15-22-17-14(19(26)23(15)9-11)8-13(18(25)21-2)16(20)24(17)10-12-4-3-7-27-12/h3-9,20H,10H2,1-2H3,(H,21,25)/b20-16+
InChIKeyPLLAVVLORZSFML-CAPFRKAQSA-N
XLogP1.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The IUPAC name of 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 656063) is 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-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 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The canonical SMILES for 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-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)NC)cc2c(=O)n3cc(C)ccc3nc2n1Cc1ccco1.
What is the InChIKey of 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is PLLAVVLORZSFML-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11-5-6-15-22-17-14(19(26)23(15)9-11)8-13(18(25)21-2)16(20)24(17)10-12-4-3-7-27-12/h3-9,20H,10H2,1-2H3,(H,21,25)/b20-16+.
What are the key properties of 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-6-imino-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 656063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).