N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide

C15H12FN3O2 — CID 115299483

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide
SMILESNCC#Cc1cccc(NC(=O)c2cc(F)ccc2O)n1
InChIInChI=1S/C15H12FN3O2/c16-10-6-7-13(20)12(9-10)15(21)19-14-5-1-3-11(18-14)4-2-8-17/h1,3,5-7,9,20H,8,17H2,(H,18,19,21)
InChIKeyZAGGLSYNGXHITO-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.49
Rot. Bonds2

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 115299483) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide
PubChem CID115299483
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide
SMILESNCC#Cc1cccc(NC(=O)c2cc(F)ccc2O)n1
InChIInChI=1S/C15H12FN3O2/c16-10-6-7-13(20)12(9-10)15(21)19-14-5-1-3-11(18-14)4-2-8-17/h1,3,5-7,9,20H,8,17H2,(H,18,19,21)
InChIKeyZAGGLSYNGXHITO-UHFFFAOYSA-N
XLogP1.49
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 60814416
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-2-fluorobenzamide
CID 81267639
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 104786313
5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 60803839
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 79214105
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-chloro-2-methylbenzamide
CID 82874779
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide
CID 60814077
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide
CID 62874149
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-cyanobenzamide
CID 60814076
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-5-methylbenzamide
CID 81315693
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 60813067
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide (CID 115299483) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide is NCC#Cc1cccc(NC(=O)c2cc(F)ccc2O)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is ZAGGLSYNGXHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-10-6-7-13(20)12(9-10)15(21)19-14-5-1-3-11(18-14)4-2-8-17/h1,3,5-7,9,20H,8,17H2,(H,18,19,21).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 285.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115299483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).