N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide

C22H18ClN5 — CID 6474442

IUPACN'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
SMILESN/C(=N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccn1
InChIInChI=1S/C22H18ClN5/c23-18-10-8-16(9-11-18)14-28-15-17(19-5-1-2-7-21(19)28)13-26-27-22(24)20-6-3-4-12-25-20/h1-13,15H,14H2,(H2,24,27)/b26-13+
InChIKeyQBHVGMQNVCJEIA-LGJNPRDNSA-N
MW387.87 g/mol
LogP4.48
Rot. Bonds5

About N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide

N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide (PubChem CID 6474442) has the molecular formula C22H18ClN5 and a molecular weight of 387.87 g/mol. Its IUPAC name is N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
PubChem CID6474442
Molecular FormulaC22H18ClN5
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
SMILESN/C(=N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccn1
InChIInChI=1S/C22H18ClN5/c23-18-10-8-16(9-11-18)14-28-15-17(19-5-1-2-7-21(19)28)13-26-27-22(24)20-6-3-4-12-25-20/h1-13,15H,14H2,(H2,24,27)/b26-13+
InChIKeyQBHVGMQNVCJEIA-LGJNPRDNSA-N
XLogP4.48
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide
CID 177498963
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 126004518
N'-[(E)-[1-[(2-bromophenyl)methyl]indol-3-yl]methylideneamino]quinoline-2-carboximidamide
CID 6474451
4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide
CID 19585690
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135569133
2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
CID 164715497
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
CID 3938272
[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone
CID 20730291
N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide
CID 172962475

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide?
The IUPAC name of N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide (CID 6474442) is N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide?
The canonical SMILES for N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide is N/C(=N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccn1.
What is the InChIKey of N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide?
The InChIKey is QBHVGMQNVCJEIA-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H18ClN5/c23-18-10-8-16(9-11-18)14-28-15-17(19-5-1-2-7-21(19)28)13-26-27-22(24)20-6-3-4-12-25-20/h1-13,15H,14H2,(H2,24,27)/b26-13+.
What are the key properties of N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide?
N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide has a molecular weight of 387.87 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide is sourced from PubChem (CID 6474442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).