4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide

C15H11F2N3O — CID 65480690

IUPAC4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNCC#Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1F
InChIInChI=1S/C15H11F2N3O/c16-12-5-6-14(19-9-12)20-15(21)11-4-3-10(2-1-7-18)13(17)8-11/h3-6,8-9H,7,18H2,(H,19,20,21)
InChIKeyQVSGSPIDVFQKGC-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.92
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide

4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide (PubChem CID 65480690) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
PubChem CID65480690
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNCC#Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1F
InChIInChI=1S/C15H11F2N3O/c16-12-5-6-14(19-9-12)20-15(21)11-4-3-10(2-1-7-18)13(17)8-11/h3-6,8-9H,7,18H2,(H,19,20,21)
InChIKeyQVSGSPIDVFQKGC-UHFFFAOYSA-N
XLogP1.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-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

4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 81294398
3-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)-4-methylbenzamide
CID 81458680
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)thiophene-3-carboxamide
CID 79684369
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62915077
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79043001
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376185
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481637
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide (CID 65480690) is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide is NCC#Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1F.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide?
The InChIKey is QVSGSPIDVFQKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-12-5-6-14(19-9-12)20-15(21)11-4-3-10(2-1-7-18)13(17)8-11/h3-6,8-9H,7,18H2,(H,19,20,21).
What are the key properties of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide?
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide has a molecular weight of 287.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 65480690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).