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

C16H13FN2O2 — CID 106753851

IUPACN-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2C#CCO)ccn1
InChIInChI=1S/C16H13FN2O2/c1-11-9-13(6-7-18-11)16(21)19-15-5-4-14(17)10-12(15)3-2-8-20/h4-7,9-10,20H,8H2,1H3,(H,19,21)
InChIKeyARHQWHCGTVLWQJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.13
Rot. Bonds2

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

N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide (PubChem CID 106753851) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
PubChem CID106753851
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2C#CCO)ccn1
InChIInChI=1S/C16H13FN2O2/c1-11-9-13(6-7-18-11)16(21)19-15-5-4-14(17)10-12(15)3-2-8-20/h4-7,9-10,20H,8H2,1H3,(H,19,21)
InChIKeyARHQWHCGTVLWQJ-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

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-5-methylfuran-3-carboxamide
CID 114822142
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
CID 60803152
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 104786278
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 104639388
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 60804187
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
1-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-propylurea
CID 54922681
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042973
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylsulfonylpropanamide
CID 104520912
2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60804365
2-methylpropyl N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 54922634

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide (CID 106753851) is N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2C#CCO)ccn1.
What is the InChIKey of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide?
The InChIKey is ARHQWHCGTVLWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-11-9-13(6-7-18-11)16(21)19-15-5-4-14(17)10-12(15)3-2-8-20/h4-7,9-10,20H,8H2,1H3,(H,19,21).
What are the key properties of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide?
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide 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 N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).