N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide

C15H12FN3O2 — CID 63850539

IUPACN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide
SMILESNCC#Cc1cc(F)ccc1NC(=O)c1cncc(O)c1
InChIInChI=1S/C15H12FN3O2/c16-12-3-4-14(10(6-12)2-1-5-17)19-15(21)11-7-13(20)9-18-8-11/h3-4,6-9,20H,5,17H2,(H,19,21)
InChIKeyMEPYBQOKBMEKAP-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.49
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 63850539) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide
PubChem CID63850539
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide
SMILESNCC#Cc1cc(F)ccc1NC(=O)c1cncc(O)c1
InChIInChI=1S/C15H12FN3O2/c16-12-3-4-14(10(6-12)2-1-5-17)19-15(21)11-7-13(20)9-18-8-11/h3-4,6-9,20H,5,17H2,(H,19,21)
InChIKeyMEPYBQOKBMEKAP-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

5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 104786278
N-(2-bromo-4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 55257449
N-(2,5-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864589
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 60814903
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
CID 104786328
methyl N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]carbamate
CID 60814781
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide
CID 60813557
5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
CID 63852247
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
CID 104786329
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 60812729
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]cycloheptanecarboxamide
CID 62589276
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016183

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide (CID 63850539) is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide is NCC#Cc1cc(F)ccc1NC(=O)c1cncc(O)c1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is MEPYBQOKBMEKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-3-4-14(10(6-12)2-1-5-17)19-15(21)11-7-13(20)9-18-8-11/h3-4,6-9,20H,5,17H2,(H,19,21).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide 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-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 63850539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).