3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide

C12H11FN4O — CID 105066572

IUPAC3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc(CNC(=O)c2ccncc2F)cn1
InChIInChI=1S/C12H11FN4O/c1-8-4-16-9(5-15-8)6-17-12(18)10-2-3-14-7-11(10)13/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyRGSMKXUYUUAILF-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.25
Rot. Bonds3

About 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide

3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 105066572) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID105066572
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc(CNC(=O)c2ccncc2F)cn1
InChIInChI=1S/C12H11FN4O/c1-8-4-16-9(5-15-8)6-17-12(18)10-2-3-14-7-11(10)13/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyRGSMKXUYUUAILF-UHFFFAOYSA-N
XLogP1.25
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114559614
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122352933
2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324148
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 115645741

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide (CID 105066572) is 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide is Cc1cnc(CNC(=O)c2ccncc2F)cn1.
What is the InChIKey of 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is RGSMKXUYUUAILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-8-4-16-9(5-15-8)6-17-12(18)10-2-3-14-7-11(10)13/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide?
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 246.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105066572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).