2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide

C24H19ClN4 — CID 142125546

IUPAC2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide
SMILESN/C(=N\c1cc(-c2ccccc2)nc(-c2ccccc2Cl)c1)c1ccccc1N
InChIInChI=1S/C24H19ClN4/c25-20-12-6-4-10-18(20)23-15-17(14-22(29-23)16-8-2-1-3-9-16)28-24(27)19-11-5-7-13-21(19)26/h1-15H,26H2,(H2,27,28,29)
InChIKeyHDQJZHWJGVFQPT-UHFFFAOYSA-N
MW398.90 g/mol
LogP5.69
Rot. Bonds4

About 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide

2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide (PubChem CID 142125546) has the molecular formula C24H19ClN4 and a molecular weight of 398.90 g/mol. Its IUPAC name is 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide
PubChem CID142125546
Molecular FormulaC24H19ClN4
Molecular Weight398.90 g/mol
Exact Mass398.13
IUPAC Name2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide
SMILESN/C(=N\c1cc(-c2ccccc2)nc(-c2ccccc2Cl)c1)c1ccccc1N
InChIInChI=1S/C24H19ClN4/c25-20-12-6-4-10-18(20)23-15-17(14-22(29-23)16-8-2-1-3-9-16)28-24(27)19-11-5-7-13-21(19)26/h1-15H,26H2,(H2,27,28,29)
InChIKeyHDQJZHWJGVFQPT-UHFFFAOYSA-N
XLogP5.69
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.90
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-amino-N'-[6-amino-3-(2-chlorophenyl)-1,2,4-triazin-5-yl]benzenecarboximidamide
CID 142127901
3,6-bis(2-chlorophenyl)-4-phenylpyridazine
CID 18874698
4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine
CID 142128339
4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170004607
4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine
CID 58693115
2-(4-methylphenyl)-N'-phenylbenzenecarboximidamide
CID 152558891
2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide
CID 146968394
4-(2,6-dichlorophenyl)-2,6-diphenylpyridine
CID 139203314
6-bromo-8-chloro-2-phenylquinolin-4-amine
CID 55196336
4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359889
2-amino-N'-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]benzenecarboximidamide
CID 162578271
N',2-diaminobenzenecarboximidamide
CID 10307874

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide?
The IUPAC name of 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide (CID 142125546) is 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide.
What is the SMILES notation for 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide?
The canonical SMILES for 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide is N/C(=N\c1cc(-c2ccccc2)nc(-c2ccccc2Cl)c1)c1ccccc1N.
What is the InChIKey of 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide?
The InChIKey is HDQJZHWJGVFQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4/c25-20-12-6-4-10-18(20)23-15-17(14-22(29-23)16-8-2-1-3-9-16)28-24(27)19-11-5-7-13-21(19)26/h1-15H,26H2,(H2,27,28,29).
What are the key properties of 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide?
2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide has a molecular weight of 398.90 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide is sourced from PubChem (CID 142125546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).