N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide

C19H16N5O2+ — CID 135488673

IUPACN-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide
SMILESO=[N+]([O-])c1cccc(C=NN/C(=N/c2ccccc2)c2cccc[nH+]2)c1
InChIInChI=1S/C19H15N5O2/c25-24(26)17-10-6-7-15(13-17)14-21-23-19(18-11-4-5-12-20-18)22-16-8-2-1-3-9-16/h1-14H,(H,22,23)/p+1
InChIKeyCGXUCRJGXVPDKN-UHFFFAOYSA-O
MW346.37 g/mol
LogP3.11
Rot. Bonds5

About N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide

N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide (PubChem CID 135488673) has the molecular formula C19H16N5O2+ and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide
PubChem CID135488673
Molecular FormulaC19H16N5O2+
Molecular Weight346.37 g/mol
Exact Mass346.13
IUPAC NameN-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide
SMILESO=[N+]([O-])c1cccc(C=NN/C(=N/c2ccccc2)c2cccc[nH+]2)c1
InChIInChI=1S/C19H15N5O2/c25-24(26)17-10-6-7-15(13-17)14-21-23-19(18-11-4-5-12-20-18)22-16-8-2-1-3-9-16/h1-14H,(H,22,23)/p+1
InChIKeyCGXUCRJGXVPDKN-UHFFFAOYSA-O
XLogP3.11
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.11
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
[(3-nitrophenyl)methylideneamino]carbamodithioic acid
CID 1275156
N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide
CID 135478497
(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 129441465
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
CID 139230612
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
N-[(Z)-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 26368034
N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420088
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide?
The IUPAC name of N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide (CID 135488673) is N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide.
What is the SMILES notation for N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide?
The canonical SMILES for N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide is O=[N+]([O-])c1cccc(C=NN/C(=N/c2ccccc2)c2cccc[nH+]2)c1.
What is the InChIKey of N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide?
The InChIKey is CGXUCRJGXVPDKN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15N5O2/c25-24(26)17-10-6-7-15(13-17)14-21-23-19(18-11-4-5-12-20-18)22-16-8-2-1-3-9-16/h1-14H,(H,22,23)/p+1.
What are the key properties of N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide?
N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide has a molecular weight of 346.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methylideneamino]-N'-phenylpyridin-1-ium-2-carboximidamide is sourced from PubChem (CID 135488673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).