N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide

C23H25N3O2 — CID 25010701

IUPACN,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(CCc2ccccc21)O3
InChIInChI=1S/C23H25N3O2/c1-14-15(2)26-13-18(22(27)25(3)4)17-10-12-23(28-20(17)21(26)24-14)11-9-16-7-5-6-8-19(16)23/h5-8,13H,9-12H2,1-4H3
InChIKeyNCWRWPQHVWLVJS-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.82
Rot. Bonds1

About N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide

N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide (PubChem CID 25010701) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide.

Molecular Properties

Compound NameN,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
PubChem CID25010701
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(CCc2ccccc21)O3
InChIInChI=1S/C23H25N3O2/c1-14-15(2)26-13-18(22(27)25(3)4)17-10-12-23(28-20(17)21(26)24-14)11-9-16-7-5-6-8-19(16)23/h5-8,13H,9-12H2,1-4H3
InChIKeyNCWRWPQHVWLVJS-UHFFFAOYSA-N
XLogP3.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide with MolForge

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Related Compounds

Ethyl 2,3-dimethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxylate
CID 9946403
(9S)-N-Cyclopropyl-8,9-dihydro-2,3-dimethyl-9-phenyl-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 11210639
(12S)-N,N,4,5-tetramethyl-12-(2-methylphenyl)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11245432
(12S)-N,N,4,5-tetramethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11450928
(12S)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11485439
(9S)-8,9-Dihydro-N,2,3-trimethyl-9-phenyl-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729705
N,N,2,3-Tetramethyl-9-(2-methylphenyl)-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729812
9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729813
N,N,2,3-Tetramethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730168
N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23730280
2,3-Dimethyl-N,9-diphenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730398
(12R)-N,N,4,5-tetramethyl-12-(2-methylphenyl)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23730526

Frequently Asked Questions

What is the IUPAC name of N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The IUPAC name of N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide (CID 25010701) is N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide.
What is the SMILES notation for N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The canonical SMILES for N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide is Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(CCc2ccccc21)O3.
What is the InChIKey of N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The InChIKey is NCWRWPQHVWLVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-15(2)26-13-18(22(27)25(3)4)17-10-12-23(28-20(17)21(26)24-14)11-9-16-7-5-6-8-19(16)23/h5-8,13H,9-12H2,1-4H3.
What are the key properties of N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide is sourced from PubChem (CID 25010701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).