N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide

C19H15Cl2N4+ — CID 135478497

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide
SMILESClc1ccc(C=NN/C(=N/c2ccccc2)c2cccc[nH+]2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N4/c20-15-10-9-14(17(21)12-15)13-23-25-19(18-8-4-5-11-22-18)24-16-6-2-1-3-7-16/h1-13H,(H,24,25)/p+1
InChIKeyHMNFZOLNAVJCNT-UHFFFAOYSA-O
MW370.26 g/mol
LogP4.51
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide

N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide (PubChem CID 135478497) has the molecular formula C19H15Cl2N4+ and a molecular weight of 370.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide
PubChem CID135478497
Molecular FormulaC19H15Cl2N4+
Molecular Weight370.26 g/mol
Exact Mass369.07
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide
SMILESClc1ccc(C=NN/C(=N/c2ccccc2)c2cccc[nH+]2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N4/c20-15-10-9-14(17(21)12-15)13-23-25-19(18-8-4-5-11-22-18)24-16-6-2-1-3-7-16/h1-13H,(H,24,25)/p+1
InChIKeyHMNFZOLNAVJCNT-UHFFFAOYSA-O
XLogP4.51
TPSA50.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 4264071
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide
CID 135422495
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide
CID 2809341
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide (CID 135478497) is N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide is Clc1ccc(C=NN/C(=N/c2ccccc2)c2cccc[nH+]2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide?
The InChIKey is HMNFZOLNAVJCNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H14Cl2N4/c20-15-10-9-14(17(21)12-15)13-23-25-19(18-8-4-5-11-22-18)24-16-6-2-1-3-7-16/h1-13H,(H,24,25)/p+1.
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide?
N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide has a molecular weight of 370.26 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide is sourced from PubChem (CID 135478497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).