2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine

C19H17N5O2 — CID 44533050

IUPAC2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine
SMILESN/C(=N\c1cccc(Cc2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1
InChIInChI=1S/C19H17N5O2/c20-19(22-15-5-2-1-3-6-15)23-18-8-4-7-16(21-18)13-14-9-11-17(12-10-14)24(25)26/h1-12H,13H2,(H3,20,21,22,23)
InChIKeyFFBIKNZAWMNQAH-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.64
Rot. Bonds5

About 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine

2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine (PubChem CID 44533050) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine
PubChem CID44533050
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine
SMILESN/C(=N\c1cccc(Cc2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1
InChIInChI=1S/C19H17N5O2/c20-19(22-15-5-2-1-3-6-15)23-18-8-4-7-16(21-18)13-14-9-11-17(12-10-14)24(25)26/h1-12H,13H2,(H3,20,21,22,23)
InChIKeyFFBIKNZAWMNQAH-UHFFFAOYSA-N
XLogP3.64
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine?
The IUPAC name of 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine (CID 44533050) is 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine.
What is the SMILES notation for 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine?
The canonical SMILES for 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine is N/C(=N\c1cccc(Cc2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1.
What is the InChIKey of 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine?
The InChIKey is FFBIKNZAWMNQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-19(22-15-5-2-1-3-6-15)23-18-8-4-7-16(21-18)13-14-9-11-17(12-10-14)24(25)26/h1-12H,13H2,(H3,20,21,22,23).
What are the key properties of 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine?
2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine has a molecular weight of 347.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-nitrophenyl)methyl]-2-pyridinyl]-1-phenylguanidine is sourced from PubChem (CID 44533050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).