2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide

C16H13FN2O2 — CID 60820829

IUPAC2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(C#CCO)ccc2F)c1
InChIInChI=1S/C16H13FN2O2/c1-11-6-7-18-15(9-11)19-16(21)13-10-12(3-2-8-20)4-5-14(13)17/h4-7,9-10,20H,8H2,1H3,(H,18,19,21)
InChIKeyUDHQHLSMZGTMDW-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.13
Rot. Bonds2

About 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide

2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 60820829) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID60820829
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(C#CCO)ccc2F)c1
InChIInChI=1S/C16H13FN2O2/c1-11-6-7-18-15(9-11)19-16(21)13-10-12(3-2-8-20)4-5-14(13)17/h4-7,9-10,20H,8H2,1H3,(H,18,19,21)
InChIKeyUDHQHLSMZGTMDW-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-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide
CID 102820853
2,5-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821008
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
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
CID 60815663
2-chloro-3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821048
2,6-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820907
5-fluoro-2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820825
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102820967
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 102821026
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-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide (CID 60820829) is 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2cc(C#CCO)ccc2F)c1.
What is the InChIKey of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is UDHQHLSMZGTMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-11-6-7-18-15(9-11)19-16(21)13-10-12(3-2-8-20)4-5-14(13)17/h4-7,9-10,20H,8H2,1H3,(H,18,19,21).
What are the key properties of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide?
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide 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-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 60820829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).