3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide

C13H15FN4O — CID 110474855

IUPAC3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ncccc1F
InChIInChI=1S/C13H15FN4O/c1-8-10(9(2)18(3)17-8)7-16-13(19)12-11(14)5-4-6-15-12/h4-6H,7H2,1-3H3,(H,16,19)
InChIKeyFLOWHEFDPXPRHD-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.50
Rot. Bonds3

About 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide

3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 110474855) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID110474855
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ncccc1F
InChIInChI=1S/C13H15FN4O/c1-8-10(9(2)18(3)17-8)7-16-13(19)12-11(14)5-4-6-15-12/h4-6H,7H2,1-3H3,(H,16,19)
InChIKeyFLOWHEFDPXPRHD-UHFFFAOYSA-N
XLogP1.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79231656
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111783617
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739935
2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79237744
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71985913
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
4-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231660
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide (CID 110474855) is 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FLOWHEFDPXPRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-10(9(2)18(3)17-8)7-16-13(19)12-11(14)5-4-6-15-12/h4-6H,7H2,1-3H3,(H,16,19).
What are the key properties of 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110474855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).