2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide

C18H17N5 — CID 166907910

IUPAC2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cncc(Nc3ccccc3)c2)ccc1N
InChIInChI=1S/C18H17N5/c19-17-7-6-12(9-16(17)18(20)21)13-8-15(11-22-10-13)23-14-4-2-1-3-5-14/h1-11,23H,19H2,(H3,20,21)
InChIKeyIOYKVBHFKUKYMT-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.36
Rot. Bonds4

About 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide

2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide (PubChem CID 166907910) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide
PubChem CID166907910
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cncc(Nc3ccccc3)c2)ccc1N
InChIInChI=1S/C18H17N5/c19-17-7-6-12(9-16(17)18(20)21)13-8-15(11-22-10-13)23-14-4-2-1-3-5-14/h1-11,23H,19H2,(H3,20,21)
InChIKeyIOYKVBHFKUKYMT-UHFFFAOYSA-N
XLogP3.36
TPSA100.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide?
The IUPAC name of 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide (CID 166907910) is 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide.
What is the SMILES notation for 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide?
The canonical SMILES for 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(-c2cncc(Nc3ccccc3)c2)ccc1N.
What is the InChIKey of 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide?
The InChIKey is IOYKVBHFKUKYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c19-17-7-6-12(9-16(17)18(20)21)13-8-15(11-22-10-13)23-14-4-2-1-3-5-14/h1-11,23H,19H2,(H3,20,21).
What are the key properties of 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide?
2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide has a molecular weight of 303.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide is sourced from PubChem (CID 166907910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).