N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine

C21H16Cl2N4 — CID 21208933

IUPACN-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine
SMILESClc1ccc(Cn2cc(/C=N\Nc3ccncc3)c3ccccc32)cc1Cl
InChIInChI=1S/C21H16Cl2N4/c22-19-6-5-15(11-20(19)23)13-27-14-16(18-3-1-2-4-21(18)27)12-25-26-17-7-9-24-10-8-17/h1-12,14H,13H2,(H,24,26)/b25-12-
InChIKeySLXARPSZMATFFQ-ROTLSHHCSA-N
MW395.29 g/mol
LogP5.84
Rot. Bonds5

About N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine

N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine (PubChem CID 21208933) has the molecular formula C21H16Cl2N4 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine.

Molecular Properties

Compound NameN-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine
PubChem CID21208933
Molecular FormulaC21H16Cl2N4
Molecular Weight395.29 g/mol
Exact Mass394.08
IUPAC NameN-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine
SMILESClc1ccc(Cn2cc(/C=N\Nc3ccncc3)c3ccccc32)cc1Cl
InChIInChI=1S/C21H16Cl2N4/c22-19-6-5-15(11-20(19)23)13-27-14-16(18-3-1-2-4-21(18)27)12-25-26-17-7-9-24-10-8-17/h1-12,14H,13H2,(H,24,26)/b25-12-
InChIKeySLXARPSZMATFFQ-ROTLSHHCSA-N
XLogP5.84
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
4-acetamido-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 4535477
4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline
CID 126209271
2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide
CID 126059458
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395139
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 5104656
4-[2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]benzoic acid
CID 3701627
3-chloro-N-[(E)-(1-ethylindol-3-yl)methylideneamino]-4-methylaniline
CID 110506575
3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile
CID 19060384
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 1275740
3,4-dichloro-N-[3-methyl-1-[2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 4266198

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine?
The IUPAC name of N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine (CID 21208933) is N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine.
What is the SMILES notation for N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine?
The canonical SMILES for N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine is Clc1ccc(Cn2cc(/C=N\Nc3ccncc3)c3ccccc32)cc1Cl.
What is the InChIKey of N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine?
The InChIKey is SLXARPSZMATFFQ-ROTLSHHCSA-N. The full InChI is InChI=1S/C21H16Cl2N4/c22-19-6-5-15(11-20(19)23)13-27-14-16(18-3-1-2-4-21(18)27)12-25-26-17-7-9-24-10-8-17/h1-12,14H,13H2,(H,24,26)/b25-12-.
What are the key properties of N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine?
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine has a molecular weight of 395.29 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine is sourced from PubChem (CID 21208933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).