N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide

C26H33N3O — CID 21176365

IUPACN-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=N/NC(=O)c2cccnc2)C(C)(C)CCC1
InChIInChI=1S/C26H33N3O/c1-20(13-14-24-22(3)11-7-16-26(24,4)5)9-6-10-21(2)15-18-28-29-25(30)23-12-8-17-27-19-23/h6,8-10,12-15,17-19H,7,11,16H2,1-5H3,(H,29,30)/b10-6+,14-13+,20-9+,21-15+,28-18+
InChIKeyRZZQUTADLRVOLI-VEPARLILSA-N
MW403.57 g/mol
LogP6.33
Rot. Bonds7

About N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide

N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide (PubChem CID 21176365) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide
PubChem CID21176365
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC NameN-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=N/NC(=O)c2cccnc2)C(C)(C)CCC1
InChIInChI=1S/C26H33N3O/c1-20(13-14-24-22(3)11-7-16-26(24,4)5)9-6-10-21(2)15-18-28-29-25(30)23-12-8-17-27-19-23/h6,8-10,12-15,17-19H,7,11,16H2,1-5H3,(H,29,30)/b10-6+,14-13+,20-9+,21-15+,28-18+
InChIKeyRZZQUTADLRVOLI-VEPARLILSA-N
XLogP6.33
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide 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

(5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-one
CID 123976151
2-[(1E,3Z,5E,7E)-8-chloro-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 134395769
4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzoic acid
CID 72731073
2-[3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 54413330
CID 173018096
CID 173018096
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,7,8,12-tetramethyl-14-(2,6,6-trimethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohexene
CID 102148044
(5E,7E,9E,11E)-6,10-dimethyl-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraen-2-one
CID 11232654
(2E,4E,6E,8E)-3,7-dimethyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 127029314
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal;propane
CID 177352774
(2E,4E,6Z,8E)-N,3,7-trimethyl-N-phenacyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 135384966
N'-(4-chlorophenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenehydrazide
CID 173046456
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 5354043

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide (CID 21176365) is N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=N/NC(=O)c2cccnc2)C(C)(C)CCC1.
What is the InChIKey of N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide?
The InChIKey is RZZQUTADLRVOLI-VEPARLILSA-N. The full InChI is InChI=1S/C26H33N3O/c1-20(13-14-24-22(3)11-7-16-26(24,4)5)9-6-10-21(2)15-18-28-29-25(30)23-12-8-17-27-19-23/h6,8-10,12-15,17-19H,7,11,16H2,1-5H3,(H,29,30)/b10-6+,14-13+,20-9+,21-15+,28-18+.
What are the key properties of N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide?
N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 21176365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).