2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide

C16H13FN2O2 — CID 102820853

IUPAC2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C#CCO)ccn2)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-11-4-5-13(14(17)9-11)16(21)19-15-10-12(3-2-8-20)6-7-18-15/h4-7,9-10,20H,8H2,1H3,(H,18,19,21)
InChIKeyOEFWBTBIIONLCS-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.13
Rot. Bonds2

About 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide

2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide (PubChem CID 102820853) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide
PubChem CID102820853
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C#CCO)ccn2)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-11-4-5-13(14(17)9-11)16(21)19-15-10-12(3-2-8-20)6-7-18-15/h4-7,9-10,20H,8H2,1H3,(H,18,19,21)
InChIKeyOEFWBTBIIONLCS-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.13
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

2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821042
2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 107677282
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 60820829
2,5-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821008
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102820967
2,6-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820907
2-chloro-3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821048
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 102821026
5-fluoro-2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820825
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide
CID 102820804

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide (CID 102820853) is 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(C#CCO)ccn2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is OEFWBTBIIONLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-11-4-5-13(14(17)9-11)16(21)19-15-10-12(3-2-8-20)6-7-18-15/h4-7,9-10,20H,8H2,1H3,(H,18,19,21).
What are the key properties of 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide?
2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 102820853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).