N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide

C16H13FN2O2 — CID 65435087

IUPACN-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C#CCCO)c(F)c1)c1ccncc1
InChIInChI=1S/C16H13FN2O2/c17-15-11-14(5-4-12(15)3-1-2-10-20)19-16(21)13-6-8-18-9-7-13/h4-9,11,20H,2,10H2,(H,19,21)
InChIKeyAWFBHNQRTFPQEP-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.21
Rot. Bonds3

About N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide

N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide (PubChem CID 65435087) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
PubChem CID65435087
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C#CCCO)c(F)c1)c1ccncc1
InChIInChI=1S/C16H13FN2O2/c17-15-11-14(5-4-12(15)3-1-2-10-20)19-16(21)13-6-8-18-9-7-13/h4-9,11,20H,2,10H2,(H,19,21)
InChIKeyAWFBHNQRTFPQEP-UHFFFAOYSA-N
XLogP2.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.21
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-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922448
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 65435657
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 65437435
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 65436053
1-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propan-2-ylurea
CID 65435681
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide
CID 62904657
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
2-tert-butylsulfanyl-N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 65437630
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 65433519
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 65435106
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide (CID 65435087) is N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(C#CCCO)c(F)c1)c1ccncc1.
What is the InChIKey of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide?
The InChIKey is AWFBHNQRTFPQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-15-11-14(5-4-12(15)3-1-2-10-20)19-16(21)13-6-8-18-9-7-13/h4-9,11,20H,2,10H2,(H,19,21).
What are the key properties of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide?
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 65435087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).