N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

C15H17F2N5O — CID 167909053

IUPACN-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn(C2CCN(C(=O)Nc3ccnc(F)c3F)CC2)c1
InChIInChI=1S/C15H17F2N5O/c1-10-8-19-22(9-10)11-3-6-21(7-4-11)15(23)20-12-2-5-18-14(17)13(12)16/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,18,20,23)
InChIKeyZSZWIXDHSULTAB-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.73
Rot. Bonds2

About N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (PubChem CID 167909053) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
PubChem CID167909053
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC NameN-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn(C2CCN(C(=O)Nc3ccnc(F)c3F)CC2)c1
InChIInChI=1S/C15H17F2N5O/c1-10-8-19-22(9-10)11-3-6-21(7-4-11)15(23)20-12-2-5-18-14(17)13(12)16/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,18,20,23)
InChIKeyZSZWIXDHSULTAB-UHFFFAOYSA-N
XLogP2.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropylpyrazol-3-yl)-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 167758528
[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 126947144
4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167897402
1-[3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 136543837
N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166227798
4-(4-bromopyrazol-1-yl)-N-[6-(triazol-2-yl)-3-pyridinyl]piperidine-1-carboxamide
CID 154806460
N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166211503
[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 166253150
N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 128737521
4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide
CID 166203793
1-cyclobutyl-4-methylpyrazole
CID 59225391
3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
CID 136543844

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (CID 167909053) is N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is Cc1cnn(C2CCN(C(=O)Nc3ccnc(F)c3F)CC2)c1.
What is the InChIKey of N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The InChIKey is ZSZWIXDHSULTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c1-10-8-19-22(9-10)11-3-6-21(7-4-11)15(23)20-12-2-5-18-14(17)13(12)16/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,18,20,23).
What are the key properties of N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 167909053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).