N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide

C19H13FN4O — CID 113037053

IUPACN-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C19H13FN4O/c20-15-7-5-13(6-8-15)19(25)24-18-10-9-16(12-22-18)23-17-4-2-1-3-14(17)11-21/h1-10,12,23H,(H,22,24,25)
InChIKeyGLPFXJCATRVXGO-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.09
Rot. Bonds4

About N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide

N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide (PubChem CID 113037053) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
PubChem CID113037053
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC NameN-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C19H13FN4O/c20-15-7-5-13(6-8-15)19(25)24-18-10-9-16(12-22-18)23-17-4-2-1-3-14(17)11-21/h1-10,12,23H,(H,22,24,25)
InChIKeyGLPFXJCATRVXGO-UHFFFAOYSA-N
XLogP4.09
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037046
4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide
CID 113032990
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide
CID 113037039
N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
CID 113037072
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508
N-(2-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109164997
4-methyl-N-[5-(2-methylanilino)-2-pyridinyl]benzamide
CID 113031308
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113022689
N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109164779
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide (CID 113037053) is N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide is N#Cc1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)nc1.
What is the InChIKey of N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide?
The InChIKey is GLPFXJCATRVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-15-7-5-13(6-8-15)19(25)24-18-10-9-16(12-22-18)23-17-4-2-1-3-14(17)11-21/h1-10,12,23H,(H,22,24,25).
What are the key properties of N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide?
N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide has a molecular weight of 332.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 113037053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).