N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide

C19H14N4O — CID 11544171

IUPACN-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide
SMILESN#Cc1cccnc1-c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C19H14N4O/c20-12-15-4-3-11-22-18(15)13-7-9-14(10-8-13)19(24)23-17-6-2-1-5-16(17)21/h1-11H,21H2,(H,23,24)
InChIKeyZQPGFKNMOSRNOQ-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.45
Rot. Bonds3

About N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide

N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide (PubChem CID 11544171) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide
PubChem CID11544171
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC NameN-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide
SMILESN#Cc1cccnc1-c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C19H14N4O/c20-12-15-4-3-11-22-18(15)13-7-9-14(10-8-13)19(24)23-17-6-2-1-5-16(17)21/h1-11H,21H2,(H,23,24)
InChIKeyZQPGFKNMOSRNOQ-UHFFFAOYSA-N
XLogP3.45
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide (CID 11544171) is N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide is N#Cc1cccnc1-c1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide?
The InChIKey is ZQPGFKNMOSRNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-12-15-4-3-11-22-18(15)13-7-9-14(10-8-13)19(24)23-17-6-2-1-5-16(17)21/h1-11H,21H2,(H,23,24).
What are the key properties of N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide?
N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide has a molecular weight of 314.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3-cyano-2-pyridinyl)benzamide is sourced from PubChem (CID 11544171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).