N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide

C14H10FN3O2 — CID 65433519

IUPACN-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C#CCO)c(F)c1)c1cnccn1
InChIInChI=1S/C14H10FN3O2/c15-12-8-11(4-3-10(12)2-1-7-19)18-14(20)13-9-16-5-6-17-13/h3-6,8-9,19H,7H2,(H,18,20)
InChIKeyZMHUJQCJONLQOP-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.21
Rot. Bonds2

About N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide

N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide (PubChem CID 65433519) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
PubChem CID65433519
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC NameN-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C#CCO)c(F)c1)c1cnccn1
InChIInChI=1S/C14H10FN3O2/c15-12-8-11(4-3-10(12)2-1-7-19)18-14(20)13-9-16-5-6-17-13/h3-6,8-9,19H,7H2,(H,18,20)
InChIKeyZMHUJQCJONLQOP-UHFFFAOYSA-N
XLogP1.21
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]pyrazine-2-carboxamide
CID 62200861
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 65433326
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 65435087
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 65434489
3-chloro-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-2-carboxamide
CID 103404140
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 65432952
4-chloro-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 65432162
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 65434100
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide (CID 65433519) is N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(C#CCO)c(F)c1)c1cnccn1.
What is the InChIKey of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ZMHUJQCJONLQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-8-11(4-3-10(12)2-1-7-19)18-14(20)13-9-16-5-6-17-13/h3-6,8-9,19H,7H2,(H,18,20).
What are the key properties of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide?
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 271.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 65433519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).