3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide

C17H16FN3O3 — CID 169415366

IUPAC3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESN#Cc1cccnc1-c1cc(F)cc(C(=O)NCCOCCO)c1
InChIInChI=1S/C17H16FN3O3/c18-15-9-13(16-12(11-19)2-1-3-20-16)8-14(10-15)17(23)21-4-6-24-7-5-22/h1-3,8-10,22H,4-7H2,(H,21,23)
InChIKeyNXDSZBCLPLYIOM-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.50
Rot. Bonds7

About 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide

3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide (PubChem CID 169415366) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
PubChem CID169415366
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESN#Cc1cccnc1-c1cc(F)cc(C(=O)NCCOCCO)c1
InChIInChI=1S/C17H16FN3O3/c18-15-9-13(16-12(11-19)2-1-3-20-16)8-14(10-15)17(23)21-4-6-24-7-5-22/h1-3,8-10,22H,4-7H2,(H,21,23)
InChIKeyNXDSZBCLPLYIOM-UHFFFAOYSA-N
XLogP1.50
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide 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

3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 110474765
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide
CID 134802252
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
4-(cyanomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 82178807
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 107120993
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998
N-[2-(2-hydroxyethoxy)ethyl]quinoline-3-carboxamide
CID 110489496
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311
4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide
CID 119064776
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The IUPAC name of 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide (CID 169415366) is 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide.
What is the SMILES notation for 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The canonical SMILES for 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide is N#Cc1cccnc1-c1cc(F)cc(C(=O)NCCOCCO)c1.
What is the InChIKey of 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The InChIKey is NXDSZBCLPLYIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-15-9-13(16-12(11-19)2-1-3-20-16)8-14(10-15)17(23)21-4-6-24-7-5-22/h1-3,8-10,22H,4-7H2,(H,21,23).
What are the key properties of 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide has a molecular weight of 329.33 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide is sourced from PubChem (CID 169415366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).