N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide

C15H12FN3O2 — CID 62199009

IUPACN-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C#CCCO)cc1F)c1cnccn1
InChIInChI=1S/C15H12FN3O2/c16-12-9-11(3-1-2-8-20)4-5-13(12)19-15(21)14-10-17-6-7-18-14/h4-7,9-10,20H,2,8H2,(H,19,21)
InChIKeyAWQIZKUHUDBFLF-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.60
Rot. Bonds3

About N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide

N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide (PubChem CID 62199009) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide
PubChem CID62199009
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC NameN-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C#CCCO)cc1F)c1cnccn1
InChIInChI=1S/C15H12FN3O2/c16-12-9-11(3-1-2-8-20)4-5-13(12)19-15(21)14-10-17-6-7-18-14/h4-7,9-10,20H,2,8H2,(H,19,21)
InChIKeyAWQIZKUHUDBFLF-UHFFFAOYSA-N
XLogP1.60
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide 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

N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide
CID 103820427
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802676
N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 107595297
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide
CID 62909235
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 60804230
1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea
CID 54923015
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 60803530
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-methylsulfanylpropanamide
CID 60804946
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389036

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide (CID 62199009) is N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(C#CCCO)cc1F)c1cnccn1.
What is the InChIKey of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is AWQIZKUHUDBFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-9-11(3-1-2-8-20)4-5-13(12)19-15(21)14-10-17-6-7-18-14/h4-7,9-10,20H,2,8H2,(H,19,21).
What are the key properties of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide?
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 62199009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).