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

C22H23N5O4 — CID 3151446

IUPACN-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-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)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc2n1CCCOC
InChIInChI=1S/C22H23N5O4/c1-14-6-3-8-27-19(14)25-20-17(22(27)29)12-16(18(23)26(20)9-5-10-30-2)21(28)24-13-15-7-4-11-31-15/h3-4,6-8,11-12,23H,5,9-10,13H2,1-2H3,(H,24,28)/b23-18+
InChIKeyUANGGHOKKCEYBZ-PTGBLXJZSA-N
MW421.46 g/mol
LogP2.00
Rot. Bonds7

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

N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 3151446) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID3151446
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-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)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc2n1CCCOC
InChIInChI=1S/C22H23N5O4/c1-14-6-3-8-27-19(14)25-20-17(22(27)29)12-16(18(23)26(20)9-5-10-30-2)21(28)24-13-15-7-4-11-31-15/h3-4,6-8,11-12,23H,5,9-10,13H2,1-2H3,(H,24,28)/b23-18+
InChIKeyUANGGHOKKCEYBZ-PTGBLXJZSA-N
XLogP2.00
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

2-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (furan-2-ylmethyl)-amide
CID 647145
N-Benzyl-1-(2-furylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 661575
1-Furan-2-ylmethyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid phenethyl-amide
CID 1077343
(5Z)-5-({[3-(dimethylamino)propyl]amino}methylidene)-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1602851
(E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)acetamide
CID 2043510
5-Chloro-1-(furan-2-ylmethyl)-2-iminopyridine-3-carboxamide
CID 59151549
2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 1083179
1-(2-Furylmethyl)-2-imino-N,8-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 656063
N-(2-Furylmethyl)-2-imino-1-(2-methoxyethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 661238
N,1-Bis(2-furylmethyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1077328
1-(2-Furylmethyl)-2-imino-8-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1077344
1-Furan-2-ylmethyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclohexylamide
CID 1077345

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-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 N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 3151446) is N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-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 N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-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 N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-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)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc2n1CCCOC.
What is the InChIKey of N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is UANGGHOKKCEYBZ-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-14-6-3-8-27-19(14)25-20-17(22(27)29)12-16(18(23)26(20)9-5-10-30-2)21(28)24-13-15-7-4-11-31-15/h3-4,6-8,11-12,23H,5,9-10,13H2,1-2H3,(H,24,28)/b23-18+.
What are the key properties of N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-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 421.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-imino-7-(3-methoxypropyl)-11-methyl-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 3151446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).