N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide

C24H21N5O3 — CID 46932068

IUPACN-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c([nH]n(-c4ccccc4)c3=O)-c3cccnc32)cc1
InChIInChI=1S/C24H21N5O3/c1-32-18-11-9-16(10-12-18)26-24(31)28-15-13-20-21(19-8-5-14-25-22(19)28)27-29(23(20)30)17-6-3-2-4-7-17/h2-12,14,27H,13,15H2,1H3,(H,26,31)
InChIKeyYSWXBJOLMXIBEK-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.83
Rot. Bonds3

About N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide

N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide (PubChem CID 46932068) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide
PubChem CID46932068
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c([nH]n(-c4ccccc4)c3=O)-c3cccnc32)cc1
InChIInChI=1S/C24H21N5O3/c1-32-18-11-9-16(10-12-18)26-24(31)28-15-13-20-21(19-8-5-14-25-22(19)28)27-29(23(20)30)17-6-3-2-4-7-17/h2-12,14,27H,13,15H2,1H3,(H,26,31)
InChIKeyYSWXBJOLMXIBEK-UHFFFAOYSA-N
XLogP3.83
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide with MolForge

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Related Compounds

(4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone
CID 58054770
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53200908
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide
CID 1354596
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023
6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide
CID 18794229
N-(4-phenoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346245
11-(4-methoxyphenyl)-14-phenyl-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16)-hexaen-13-one
CID 132545093
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 97252833
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide (CID 46932068) is N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide is COc1ccc(NC(=O)N2CCc3c([nH]n(-c4ccccc4)c3=O)-c3cccnc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide?
The InChIKey is YSWXBJOLMXIBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-32-18-11-9-16(10-12-18)26-24(31)28-15-13-20-21(19-8-5-14-25-22(19)28)27-29(23(20)30)17-6-3-2-4-7-17/h2-12,14,27H,13,15H2,1H3,(H,26,31).
What are the key properties of N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide?
N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide is sourced from PubChem (CID 46932068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).