N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide

C15H11F2N3O — CID 104786329

IUPACN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
SMILESNCC#Cc1cc(NC(=O)c2cncc(F)c2)ccc1F
InChIInChI=1S/C15H11F2N3O/c16-12-6-11(8-19-9-12)15(21)20-13-3-4-14(17)10(7-13)2-1-5-18/h3-4,6-9H,5,18H2,(H,20,21)
InChIKeyVKFYRWTXJYJSNX-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.92
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide (PubChem CID 104786329) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
PubChem CID104786329
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
SMILESNCC#Cc1cc(NC(=O)c2cncc(F)c2)ccc1F
InChIInChI=1S/C15H11F2N3O/c16-12-6-11(8-19-9-12)15(21)20-13-3-4-14(17)10(7-13)2-1-5-18/h3-4,6-9H,5,18H2,(H,20,21)
InChIKeyVKFYRWTXJYJSNX-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'}

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Related Compounds

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
CID 104786328
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822227
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922448
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 102821306
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922475
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 104786313
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide
CID 63850539

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide (CID 104786329) is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide is NCC#Cc1cc(NC(=O)c2cncc(F)c2)ccc1F.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is VKFYRWTXJYJSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-12-6-11(8-19-9-12)15(21)20-13-3-4-14(17)10(7-13)2-1-5-18/h3-4,6-9H,5,18H2,(H,20,21).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide?
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide 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 N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).