3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide

C16H18FN3O2 — CID 113025164

IUPAC3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C16H18FN3O2/c1-22-9-3-8-18-14-6-7-15(19-11-14)20-16(21)12-4-2-5-13(17)10-12/h2,4-7,10-11,18H,3,8-9H2,1H3,(H,19,20,21)
InChIKeyVAFGMLBIQPMCSP-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.92
Rot. Bonds7

About 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide

3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide (PubChem CID 113025164) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
PubChem CID113025164
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C16H18FN3O2/c1-22-9-3-8-18-14-6-7-15(19-11-14)20-16(21)12-4-2-5-13(17)10-12/h2,4-7,10-11,18H,3,8-9H2,1H3,(H,19,20,21)
InChIKeyVAFGMLBIQPMCSP-UHFFFAOYSA-N
XLogP2.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]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

N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065
4-[[5-(3-methoxypropylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187377
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide (CID 113025164) is 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide is COCCCNc1ccc(NC(=O)c2cccc(F)c2)nc1.
What is the InChIKey of 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide?
The InChIKey is VAFGMLBIQPMCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-22-9-3-8-18-14-6-7-15(19-11-14)20-16(21)12-4-2-5-13(17)10-12/h2,4-7,10-11,18H,3,8-9H2,1H3,(H,19,20,21).
What are the key properties of 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide?
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide has a molecular weight of 303.34 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113025164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).