19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide

C35H42N4O3 — CID 145476260

IUPAC19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
SMILESC=C1CC(NC(=O)C23CC2c2cc(OC)ccc2-c2c(C4CCCCC4)c4ccc(C(N)=O)cc4n2C3)CC(C)N1C
InChIInChI=1S/C35H42N4O3/c1-20-14-24(15-21(2)38(20)3)37-34(41)35-18-29(35)28-17-25(42-4)11-13-26(28)32-31(22-8-6-5-7-9-22)27-12-10-23(33(36)40)16-30(27)39(32)19-35/h10-13,16-17,21-22,24,29H,1,5-9,14-15,18-19H2,2-4H3,(H2,36,40)(H,37,41)
InChIKeyXRPKGGDTPRLUIB-UHFFFAOYSA-N
MW566.75 g/mol
LogP6.06
Rot. Bonds5

About 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide

19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide (PubChem CID 145476260) has the molecular formula C35H42N4O3 and a molecular weight of 566.75 g/mol. Its IUPAC name is 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide.

Molecular Properties

Compound Name19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
PubChem CID145476260
Molecular FormulaC35H42N4O3
Molecular Weight566.75 g/mol
Exact Mass566.33
IUPAC Name19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
SMILESC=C1CC(NC(=O)C23CC2c2cc(OC)ccc2-c2c(C4CCCCC4)c4ccc(C(N)=O)cc4n2C3)CC(C)N1C
InChIInChI=1S/C35H42N4O3/c1-20-14-24(15-21(2)38(20)3)37-34(41)35-18-29(35)28-17-25(42-4)11-13-26(28)32-31(22-8-6-5-7-9-22)27-12-10-23(33(36)40)16-30(27)39(32)19-35/h10-13,16-17,21-22,24,29H,1,5-9,14-15,18-19H2,2-4H3,(H2,36,40)(H,37,41)
InChIKeyXRPKGGDTPRLUIB-UHFFFAOYSA-N
XLogP6.06
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
CID 25014739
dimethyl (8S,10R)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate
CID 24739416
19-cyclohexyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-N-sulfinamoyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 145474996
ethyl (8S,10R)-19-cyclohexyl-5-methoxy-15-(prop-1-en-2-ylsulfonylcarbamoyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylate
CID 59452553
19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-(3,4,5-trimethylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 74079067
10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium
CID 145476130
19-cyclohexyl-5-methoxy-10-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25019519
19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 145475636
19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-1-carbonyl)-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 71146857
19-cyclohexyl-10-(C,N-dimethylcarbonimidoyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 145476121
(8R,10S)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 59837564
10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
CID 145476253

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?
The IUPAC name of 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide (CID 145476260) is 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide.
What is the SMILES notation for 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?
The canonical SMILES for 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide is C=C1CC(NC(=O)C23CC2c2cc(OC)ccc2-c2c(C4CCCCC4)c4ccc(C(N)=O)cc4n2C3)CC(C)N1C.
What is the InChIKey of 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?
The InChIKey is XRPKGGDTPRLUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N4O3/c1-20-14-24(15-21(2)38(20)3)37-34(41)35-18-29(35)28-17-25(42-4)11-13-26(28)32-31(22-8-6-5-7-9-22)27-12-10-23(33(36)40)16-30(27)39(32)19-35/h10-13,16-17,21-22,24,29H,1,5-9,14-15,18-19H2,2-4H3,(H2,36,40)(H,37,41).
What are the key properties of 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?
19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide has a molecular weight of 566.75 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide is sourced from PubChem (CID 145476260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).