N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C19H20N4O5 — CID 7295772

IUPACN-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCO[C@H]1C=C[C@@](CNC(=O)c2cc3c(=O)n4ccccc4nc3n2C)(OC)O1
InChIInChI=1S/C19H20N4O5/c1-22-13(17(24)20-11-19(27-3)8-7-15(26-2)28-19)10-12-16(22)21-14-6-4-5-9-23(14)18(12)25/h4-10,15H,11H2,1-3H3,(H,20,24)/t15-,19-/m1/s1
InChIKeyYGNLNMKHYXKLAN-DNVCBOLYSA-N
MW384.39 g/mol
LogP0.82
Rot. Bonds5

About N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 7295772) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID7295772
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCO[C@H]1C=C[C@@](CNC(=O)c2cc3c(=O)n4ccccc4nc3n2C)(OC)O1
InChIInChI=1S/C19H20N4O5/c1-22-13(17(24)20-11-19(27-3)8-7-15(26-2)28-19)10-12-16(22)21-14-6-4-5-9-23(14)18(12)25/h4-10,15H,11H2,1-3H3,(H,20,24)/t15-,19-/m1/s1
InChIKeyYGNLNMKHYXKLAN-DNVCBOLYSA-N
XLogP0.82
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-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

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1-benzyl-N-(2-morpholinoethyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 667210
N,N-diethyl-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
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2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)carbonyl]-1,9-dimethylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
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N,N,1,9-tetramethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3239415
1,9-Dimethyl-4-oxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,4-dihydropyrido[1,2-A]pyrrolo[2,3-D]pyrimidine-2-carboxamide
CID 3239936
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CID 3240592
1-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
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N-(2-cyclohex-1-en-1-ylethyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3242584
2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)carbonyl]-1-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
CID 3243206
6,10-dimethyl-2-oxo-N,N-dipropyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3505795
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CID 4327872

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-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 N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]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 7295772) is N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-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 N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-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 N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is CO[C@H]1C=C[C@@](CNC(=O)c2cc3c(=O)n4ccccc4nc3n2C)(OC)O1.
What is the InChIKey of N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is YGNLNMKHYXKLAN-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-22-13(17(24)20-11-19(27-3)8-7-15(26-2)28-19)10-12-16(22)21-14-6-4-5-9-23(14)18(12)25/h4-10,15H,11H2,1-3H3,(H,20,24)/t15-,19-/m1/s1.
What are the key properties of N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-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 384.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-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 7295772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).