5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide

C90H76N12O6 — CID 160739677

IUPAC5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide
SMILESO=C(Nc1c(-c2cccnc2)cc2c3c1CCC(=O)N3CC2)c1ccccc1.O=C(Nc1c(-c2cccnc2)cc2c3c1CCN3C(=O)CC2)c1ccccc1.O=C1CCc2c(Nc3ccccc3)c(-c3cccnc3)cc3c2N1CC3.O=C1CCc2cc(-c3cccnc3)c(Nc3ccccc3)c3c2N1CC3
InChIInChI=1S/2C23H19N3O2.2C22H19N3O/c27-20-9-8-18-21(25-23(28)15-5-2-1-3-6-15)19(17-7-4-11-24-14-17)13-16-10-12-26(20)22(16)18;27-20-9-8-16-13-19(17-7-4-11-24-14-17)21(18-10-12-26(20)22(16)18)25-23(28)15-5-2-1-3-6-15;26-20-9-8-18-21(24-17-6-2-1-3-7-17)19(16-5-4-11-23-14-16)13-15-10-12-25(20)22(15)18;26-20-9-8-15-13-19(16-5-4-11-23-14-16)21(18-10-12-25(20)22(15)18)24-17-6-2-1-3-7-17/h2*1-7,11,13-14H,8-10,12H2,(H,25,28);2*1-7,11,13-14,24H,8-10,12H2
InChIKeyRVKIIJRVRMMBOO-UHFFFAOYSA-N
MW1421.68 g/mol
LogP16.33
Rot. Bonds12

About 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide

5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide (PubChem CID 160739677) has the molecular formula C90H76N12O6 and a molecular weight of 1421.68 g/mol. Its IUPAC name is 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide.

Molecular Properties

Compound Name5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide
PubChem CID160739677
Molecular FormulaC90H76N12O6
Molecular Weight1421.68 g/mol
Exact Mass1420.60
IUPAC Name5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide
SMILESO=C(Nc1c(-c2cccnc2)cc2c3c1CCC(=O)N3CC2)c1ccccc1.O=C(Nc1c(-c2cccnc2)cc2c3c1CCN3C(=O)CC2)c1ccccc1.O=C1CCc2c(Nc3ccccc3)c(-c3cccnc3)cc3c2N1CC3.O=C1CCc2cc(-c3cccnc3)c(Nc3ccccc3)c3c2N1CC3
InChIInChI=1S/2C23H19N3O2.2C22H19N3O/c27-20-9-8-18-21(25-23(28)15-5-2-1-3-6-15)19(17-7-4-11-24-14-17)13-16-10-12-26(20)22(16)18;27-20-9-8-16-13-19(17-7-4-11-24-14-17)21(18-10-12-26(20)22(16)18)25-23(28)15-5-2-1-3-6-15;26-20-9-8-18-21(24-17-6-2-1-3-7-17)19(16-5-4-11-23-14-16)13-15-10-12-25(20)22(15)18;26-20-9-8-15-13-19(16-5-4-11-23-14-16)21(18-10-12-25(20)22(15)18)24-17-6-2-1-3-7-17/h2*1-7,11,13-14H,8-10,12H2,(H,25,28);2*1-7,11,13-14,24H,8-10,12H2
InChIKeyRVKIIJRVRMMBOO-UHFFFAOYSA-N
XLogP16.33
TPSA215.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001421.68
LogP ≤ 516.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 142532157
5-methyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-11-thione
CID 58255666
2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 134480347
N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384044
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 146021058
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide
CID 7526319
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384467
7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione
CID 158913506

Frequently Asked Questions

What is the IUPAC name of 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide?
The IUPAC name of 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide (CID 160739677) is 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide.
What is the SMILES notation for 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide?
The canonical SMILES for 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide is O=C(Nc1c(-c2cccnc2)cc2c3c1CCC(=O)N3CC2)c1ccccc1.O=C(Nc1c(-c2cccnc2)cc2c3c1CCN3C(=O)CC2)c1ccccc1.O=C1CCc2c(Nc3ccccc3)c(-c3cccnc3)cc3c2N1CC3.O=C1CCc2cc(-c3cccnc3)c(Nc3ccccc3)c3c2N1CC3.
What is the InChIKey of 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide?
The InChIKey is RVKIIJRVRMMBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19N3O2.2C22H19N3O/c27-20-9-8-18-21(25-23(28)15-5-2-1-3-6-15)19(17-7-4-11-24-14-17)13-16-10-12-26(20)22(16)18;27-20-9-8-16-13-19(17-7-4-11-24-14-17)21(18-10-12-26(20)22(16)18)25-23(28)15-5-2-1-3-6-15;26-20-9-8-18-21(24-17-6-2-1-3-7-17)19(16-5-4-11-23-14-16)13-15-10-12-25(20)22(15)18;26-20-9-8-15-13-19(16-5-4-11-23-14-16)21(18-10-12-25(20)22(15)18)24-17-6-2-1-3-7-17/h2*1-7,11,13-14H,8-10,12H2,(H,25,28);2*1-7,11,13-14,24H,8-10,12H2.
What are the key properties of 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide?
5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide has a molecular weight of 1421.68 g/mol, XLogP of 16.33, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide is sourced from PubChem (CID 160739677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).