5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

C20H15FN4O — CID 109233652

IUPAC5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESN#Cc1cccc(Nc2cncc(C(=O)NCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H15FN4O/c21-17-6-4-14(5-7-17)11-24-20(26)16-9-19(13-23-12-16)25-18-3-1-2-15(8-18)10-22/h1-9,12-13,25H,11H2,(H,24,26)
InChIKeyDCIHUCVPTYQMQY-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.77
Rot. Bonds5

About 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109233652) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109233652
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESN#Cc1cccc(Nc2cncc(C(=O)NCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H15FN4O/c21-17-6-4-14(5-7-17)11-24-20(26)16-9-19(13-23-12-16)25-18-3-1-2-15(8-18)10-22/h1-9,12-13,25H,11H2,(H,24,26)
InChIKeyDCIHUCVPTYQMQY-UHFFFAOYSA-N
XLogP3.77
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide 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-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10385607
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109233596
5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235533

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 109233652) is 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is N#Cc1cccc(Nc2cncc(C(=O)NCc3ccc(F)cc3)c2)c1.
What is the InChIKey of 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is DCIHUCVPTYQMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-17-6-4-14(5-7-17)11-24-20(26)16-9-19(13-23-12-16)25-18-3-1-2-15(8-18)10-22/h1-9,12-13,25H,11H2,(H,24,26).
What are the key properties of 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109233652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).