3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide

C16H19FN4O — CID 145372013

IUPAC3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
SMILESCc1cnn(-c2ccc(CNC(=O)C3(C)CC(F)C3)cn2)c1
InChIInChI=1S/C16H19FN4O/c1-11-7-20-21(10-11)14-4-3-12(8-18-14)9-19-15(22)16(2)5-13(17)6-16/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H,19,22)
InChIKeyUAURZCCPENQORI-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.33
Rot. Bonds4

About 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide

3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide (PubChem CID 145372013) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
PubChem CID145372013
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
SMILESCc1cnn(-c2ccc(CNC(=O)C3(C)CC(F)C3)cn2)c1
InChIInChI=1S/C16H19FN4O/c1-11-7-20-21(10-11)14-4-3-12(8-18-14)9-19-15(22)16(2)5-13(17)6-16/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H,19,22)
InChIKeyUAURZCCPENQORI-UHFFFAOYSA-N
XLogP2.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide with MolForge

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Related Compounds

N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294736
1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56818493
2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 167866687
1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 167749837
1-hydroxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 110907185
ethane;5-methyl-2-(4-methylpyrazol-1-yl)pyridine
CID 144804358
N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide
CID 145307276
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
5-chloro-2-(4-methylpyrazol-1-yl)pyridine
CID 66233680
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47861764
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide (CID 145372013) is 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide is Cc1cnn(-c2ccc(CNC(=O)C3(C)CC(F)C3)cn2)c1.
What is the InChIKey of 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is UAURZCCPENQORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-7-20-21(10-11)14-4-3-12(8-18-14)9-19-15(22)16(2)5-13(17)6-16/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H,19,22).
What are the key properties of 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 145372013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).