N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide

C14H9FN2O — CID 64955247

IUPACN-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)c2ccncc2F)c1
InChIInChI=1S/C14H9FN2O/c1-2-10-4-3-5-11(8-10)17-14(18)12-6-7-16-9-13(12)15/h1,3-9H,(H,17,18)
InChIKeyIZZCOLYBZNMTGN-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.45
Rot. Bonds2

About N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide

N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64955247) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID64955247
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC NameN-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)c2ccncc2F)c1
InChIInChI=1S/C14H9FN2O/c1-2-10-4-3-5-11(8-10)17-14(18)12-6-7-16-9-13(12)15/h1,3-9H,(H,17,18)
InChIKeyIZZCOLYBZNMTGN-UHFFFAOYSA-N
XLogP2.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
5-amino-N-(3-ethynylphenyl)-2-fluorobenzamide
CID 61118264
2-chloro-N-(3-ethynylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347095
N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532349
3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054769
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide
CID 33229993
N-(3-ethynylphenyl)-2-iodobenzamide
CID 24676235
N-(3-ethynylphenyl)-2-methylsulfanylbenzamide
CID 24676261
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide (CID 64955247) is N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide is C#Cc1cccc(NC(=O)c2ccncc2F)c1.
What is the InChIKey of N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is IZZCOLYBZNMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c1-2-10-4-3-5-11(8-10)17-14(18)12-6-7-16-9-13(12)15/h1,3-9H,(H,17,18).
What are the key properties of N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide?
N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 240.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64955247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).