3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide

C11H9FN4O2 — CID 122301656

IUPAC3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
SMILESCOc1ncc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C11H9FN4O2/c1-18-11-14-4-7(5-15-11)16-10(17)8-2-3-13-6-9(8)12/h2-6H,1H3,(H,16,17)
InChIKeyYKSHLIIWRMWVPM-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.27
Rot. Bonds3

About 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide

3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide (PubChem CID 122301656) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
PubChem CID122301656
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC Name3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
SMILESCOc1ncc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C11H9FN4O2/c1-18-11-14-4-7(5-15-11)16-10(17)8-2-3-13-6-9(8)12/h2-6H,1H3,(H,16,17)
InChIKeyYKSHLIIWRMWVPM-UHFFFAOYSA-N
XLogP1.27
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide
CID 122301734
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide (CID 122301656) is 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide is COc1ncc(NC(=O)c2ccncc2F)cn1.
What is the InChIKey of 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide?
The InChIKey is YKSHLIIWRMWVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c1-18-11-14-4-7(5-15-11)16-10(17)8-2-3-13-6-9(8)12/h2-6H,1H3,(H,16,17).
What are the key properties of 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide?
3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide has a molecular weight of 248.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122301656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).