1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

C16H18FN5O2 — CID 155879678

IUPAC1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C16H18FN5O2/c1-18-15(24)16(22-9-3-6-20-22)5-2-8-21(11-16)14(23)12-4-7-19-13(17)10-12/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H,18,24)
InChIKeySFMNDFNEKAHJIJ-UHFFFAOYSA-N
MW331.35 g/mol
LogP0.79
Rot. Bonds3

About 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (PubChem CID 155879678) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
PubChem CID155879678
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C16H18FN5O2/c1-18-15(24)16(22-9-3-6-20-22)5-2-8-21(11-16)14(23)12-4-7-19-13(17)10-12/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H,18,24)
InChIKeySFMNDFNEKAHJIJ-UHFFFAOYSA-N
XLogP0.79
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879215
1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879216
1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879681
N-methyl-1-[2-(2-methylphenoxy)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879396
N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 155879673
(2,2-dimethylthiomorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115683387
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248
N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880024
(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61294351
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639
1-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878944

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (CID 155879678) is 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is CNC(=O)C1(n2cccn2)CCCN(C(=O)c2ccnc(F)c2)C1.
What is the InChIKey of 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The InChIKey is SFMNDFNEKAHJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-18-15(24)16(22-9-3-6-20-22)5-2-8-21(11-16)14(23)12-4-7-19-13(17)10-12/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H,18,24).
What are the key properties of 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 155879678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).