3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

C16H19F2N5O — CID 118450421

IUPAC3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cnccc2-n2cc(C)cn2)CC1(F)F
InChIInChI=1S/C16H19F2N5O/c1-11-7-21-23(9-11)13-3-5-20-8-14(13)22-6-4-12(15(24)19-2)16(17,18)10-22/h3,5,7-9,12H,4,6,10H2,1-2H3,(H,19,24)
InChIKeyUXELUFQWDMDMFN-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.78
Rot. Bonds3

About 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 118450421) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID118450421
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cnccc2-n2cc(C)cn2)CC1(F)F
InChIInChI=1S/C16H19F2N5O/c1-11-7-21-23(9-11)13-3-5-20-8-14(13)22-6-4-12(15(24)19-2)16(17,18)10-22/h3,5,7-9,12H,4,6,10H2,1-2H3,(H,19,24)
InChIKeyUXELUFQWDMDMFN-UHFFFAOYSA-N
XLogP1.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (CID 118450421) is 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is CNC(=O)C1CCN(c2cnccc2-n2cc(C)cn2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is UXELUFQWDMDMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-11-7-21-23(9-11)13-3-5-20-8-14(13)22-6-4-12(15(24)19-2)16(17,18)10-22/h3,5,7-9,12H,4,6,10H2,1-2H3,(H,19,24).
What are the key properties of 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 118450421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).