N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide

C15H20N4O3 — CID 67061172

IUPACN-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=NN=C3C2CC2CC32)CCOCC1
InChIInChI=1S/C15H20N4O3/c1-16-14(21)15(2-4-22-5-3-15)17-13(20)12-10-7-8-6-9(8)11(10)18-19-12/h8-10H,2-7H2,1H3,(H,16,21)(H,17,20)
InChIKeyPETSNLKVTZXLCH-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.14
Rot. Bonds3

About N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide

N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide (PubChem CID 67061172) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide
PubChem CID67061172
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=NN=C3C2CC2CC32)CCOCC1
InChIInChI=1S/C15H20N4O3/c1-16-14(21)15(2-4-22-5-3-15)17-13(20)12-10-7-8-6-9(8)11(10)18-19-12/h8-10H,2-7H2,1H3,(H,16,21)(H,17,20)
InChIKeyPETSNLKVTZXLCH-UHFFFAOYSA-N
XLogP-0.14
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide?
The IUPAC name of N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide (CID 67061172) is N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide is CNC(=O)C1(NC(=O)C2=NN=C3C2CC2CC32)CCOCC1.
What is the InChIKey of N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide?
The InChIKey is PETSNLKVTZXLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-16-14(21)15(2-4-22-5-3-15)17-13(20)12-10-7-8-6-9(8)11(10)18-19-12/h8-10H,2-7H2,1H3,(H,16,21)(H,17,20).
What are the key properties of N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide?
N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide has a molecular weight of 304.35 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide is sourced from PubChem (CID 67061172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).