N'-anilino-N-phenyliminopyridine-4-carboximidamide

C18H15N5 — CID 91732185

IUPACN'-anilino-N-phenyliminopyridine-4-carboximidamide
SMILESc1ccc(/N=N/C(=N/Nc2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C18H15N5/c1-3-7-16(8-4-1)20-22-18(15-11-13-19-14-12-15)23-21-17-9-5-2-6-10-17/h1-14,20H/b22-18+,23-21+
InChIKeyFVHHYBNQWNBKIL-LIPKNONASA-N
MW301.35 g/mol
LogP4.64
Rot. Bonds4

About N'-anilino-N-phenyliminopyridine-4-carboximidamide

N'-anilino-N-phenyliminopyridine-4-carboximidamide (PubChem CID 91732185) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-anilino-N-phenyliminopyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-anilino-N-phenyliminopyridine-4-carboximidamide
PubChem CID91732185
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN'-anilino-N-phenyliminopyridine-4-carboximidamide
SMILESc1ccc(/N=N/C(=N/Nc2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C18H15N5/c1-3-7-16(8-4-1)20-22-18(15-11-13-19-14-12-15)23-21-17-9-5-2-6-10-17/h1-14,20H/b22-18+,23-21+
InChIKeyFVHHYBNQWNBKIL-LIPKNONASA-N
XLogP4.64
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
CID 171377884
N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide
CID 6373583
N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide
CID 53413479
[4-(N'-anilino-N-phenyliminocarbamimidoyl)phenyl] acetate
CID 3841289
N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide
CID 6520538
N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide
CID 71393717
bis(N'-anilino-N-phenyliminocarbamimidothioate);mercury(2+)
CID 5489934
(1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one
CID 11064487
N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide
CID 101459660
N'-anilino-1,3-diphenyl-N-phenyliminotetrazol-1-ium-5-carboximidamide
CID 74031936
N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide
CID 57208281
(E)-3-hydroxy-2-phenyldiazenyl-1-pyridin-4-ylprop-2-en-1-one
CID 135733093

Frequently Asked Questions

What is the IUPAC name of N'-anilino-N-phenyliminopyridine-4-carboximidamide?
The IUPAC name of N'-anilino-N-phenyliminopyridine-4-carboximidamide (CID 91732185) is N'-anilino-N-phenyliminopyridine-4-carboximidamide.
What is the SMILES notation for N'-anilino-N-phenyliminopyridine-4-carboximidamide?
The canonical SMILES for N'-anilino-N-phenyliminopyridine-4-carboximidamide is c1ccc(/N=N/C(=N/Nc2ccccc2)c2ccncc2)cc1.
What is the InChIKey of N'-anilino-N-phenyliminopyridine-4-carboximidamide?
The InChIKey is FVHHYBNQWNBKIL-LIPKNONASA-N. The full InChI is InChI=1S/C18H15N5/c1-3-7-16(8-4-1)20-22-18(15-11-13-19-14-12-15)23-21-17-9-5-2-6-10-17/h1-14,20H/b22-18+,23-21+.
What are the key properties of N'-anilino-N-phenyliminopyridine-4-carboximidamide?
N'-anilino-N-phenyliminopyridine-4-carboximidamide has a molecular weight of 301.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-phenyliminopyridine-4-carboximidamide is sourced from PubChem (CID 91732185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).