N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline

C34H37N6+ — CID 142942305

IUPACN-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline
SMILESC/C=C(\C=C/NCc1ccc(C[n+]2ccc(/C=N/N(C)c3ccccc3)cc2)cc1)/C=N/N(C)c1ccccc1
InChIInChI=1S/C34H37N6/c1-4-29(26-36-38(2)33-11-7-5-8-12-33)19-22-35-25-30-15-17-32(18-16-30)28-40-23-20-31(21-24-40)27-37-39(3)34-13-9-6-10-14-34/h4-24,26-27,35H,25,28H2,1-3H3/q+1/b22-19-,29-4+,36-26+
InChIKeyGNRMHQKSMNZLHN-LLRNRRIDSA-N
MW529.71 g/mol
LogP6.16
Rot. Bonds12

About N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline

N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline (PubChem CID 142942305) has the molecular formula C34H37N6+ and a molecular weight of 529.71 g/mol. Its IUPAC name is N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline
PubChem CID142942305
Molecular FormulaC34H37N6+
Molecular Weight529.71 g/mol
Exact Mass529.31
IUPAC NameN-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline
SMILESC/C=C(\C=C/NCc1ccc(C[n+]2ccc(/C=N/N(C)c3ccccc3)cc2)cc1)/C=N/N(C)c1ccccc1
InChIInChI=1S/C34H37N6/c1-4-29(26-36-38(2)33-11-7-5-8-12-33)19-22-35-25-30-15-17-32(18-16-30)28-40-23-20-31(21-24-40)27-37-39(3)34-13-9-6-10-14-34/h4-24,26-27,35H,25,28H2,1-3H3/q+1/b22-19-,29-4+,36-26+
InChIKeyGNRMHQKSMNZLHN-LLRNRRIDSA-N
XLogP6.16
TPSA47.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.71
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline?
The IUPAC name of N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline (CID 142942305) is N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline?
The canonical SMILES for N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline is C/C=C(\C=C/NCc1ccc(C[n+]2ccc(/C=N/N(C)c3ccccc3)cc2)cc1)/C=N/N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline?
The InChIKey is GNRMHQKSMNZLHN-LLRNRRIDSA-N. The full InChI is InChI=1S/C34H37N6/c1-4-29(26-36-38(2)33-11-7-5-8-12-33)19-22-35-25-30-15-17-32(18-16-30)28-40-23-20-31(21-24-40)27-37-39(3)34-13-9-6-10-14-34/h4-24,26-27,35H,25,28H2,1-3H3/q+1/b22-19-,29-4+,36-26+.
What are the key properties of N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline?
N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline has a molecular weight of 529.71 g/mol, XLogP of 6.16, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[1-[[4-[[[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]amino]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylideneamino]aniline is sourced from PubChem (CID 142942305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).