N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide

C16H19N3O4 — CID 3864679

IUPACN-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide
SMILESO=C(NC1CCN2C(=O)C3CCCCN3C(=O)C12)c1ccco1
InChIInChI=1S/C16H19N3O4/c20-14(12-5-3-9-23-12)17-10-6-8-19-13(10)16(22)18-7-2-1-4-11(18)15(19)21/h3,5,9-11,13H,1-2,4,6-8H2,(H,17,20)
InChIKeyVXYRMWFTLWOXMV-UHFFFAOYSA-N
MW317.34 g/mol
LogP0.37
Rot. Bonds2

About N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide

N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide (PubChem CID 3864679) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide
PubChem CID3864679
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC NameN-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide
SMILESO=C(NC1CCN2C(=O)C3CCCCN3C(=O)C12)c1ccco1
InChIInChI=1S/C16H19N3O4/c20-14(12-5-3-9-23-12)17-10-6-8-19-13(10)16(22)18-7-2-1-4-11(18)15(19)21/h3,5,9-11,13H,1-2,4,6-8H2,(H,17,20)
InChIKeyVXYRMWFTLWOXMV-UHFFFAOYSA-N
XLogP0.37
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide with MolForge

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Related Compounds

1-[(3S,4R,9R)-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl]-3-(4-methylphenyl)urea
CID 163072482
N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide
CID 3745374
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]furan-2-carboxamide
CID 94121408
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
CID 27451326
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide
CID 124778983
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
N-[(7S,8aS)-2-(4-bromophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide
CID 7051206

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide?
The IUPAC name of N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide (CID 3864679) is N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide is O=C(NC1CCN2C(=O)C3CCCCN3C(=O)C12)c1ccco1.
What is the InChIKey of N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide?
The InChIKey is VXYRMWFTLWOXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-14(12-5-3-9-23-12)17-10-6-8-19-13(10)16(22)18-7-2-1-4-11(18)15(19)21/h3,5,9-11,13H,1-2,4,6-8H2,(H,17,20).
What are the key properties of N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide?
N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-4-yl)furan-2-carboxamide is sourced from PubChem (CID 3864679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).