12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide

C19H24N6O3 — CID 131673096

IUPAC12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nnc3n2CC2CN(C(=O)N(C)C)CC2C3)cc1
InChIInChI=1S/C19H24N6O3/c1-23(2)19(27)24-9-12-8-16-21-22-17(25(16)11-13(12)10-24)18(26)20-14-4-6-15(28-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,20,26)
InChIKeyDLQRUKCOCRYNQI-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.32
Rot. Bonds3

About 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide

12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide (PubChem CID 131673096) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide.

Molecular Properties

Compound Name12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide
PubChem CID131673096
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nnc3n2CC2CN(C(=O)N(C)C)CC2C3)cc1
InChIInChI=1S/C19H24N6O3/c1-23(2)19(27)24-9-12-8-16-21-22-17(25(16)11-13(12)10-24)18(26)20-14-4-6-15(28-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,20,26)
InChIKeyDLQRUKCOCRYNQI-UHFFFAOYSA-N
XLogP1.32
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-5-(1,3-thiazol-2-ylmethyl)-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide
CID 131670462
5-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methoxyphenyl)-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide
CID 131673091
N-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide;2,2,2-trifluoroacetic acid
CID 155844554
5-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide;2,2,2-trifluoroacetic acid
CID 155848016
4-(4-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201733
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea
CID 4752711
1-(4-methoxyphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea
CID 7566183
3-[4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155838461
3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 23140249
(3aS,9aS,9bS)-N-(4-methoxyphenyl)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
CID 129353014

Frequently Asked Questions

What is the IUPAC name of 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide?
The IUPAC name of 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide (CID 131673096) is 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide.
What is the SMILES notation for 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide?
The canonical SMILES for 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide is COc1ccc(NC(=O)c2nnc3n2CC2CN(C(=O)N(C)C)CC2C3)cc1.
What is the InChIKey of 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide?
The InChIKey is DLQRUKCOCRYNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-23(2)19(27)24-9-12-8-16-21-22-17(25(16)11-13(12)10-24)18(26)20-14-4-6-15(28-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,20,26).
What are the key properties of 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide?
12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N-(4-methoxyphenyl)-5-N,5-N-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-5,12-dicarboxamide is sourced from PubChem (CID 131673096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).