N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide

C17H16F4N4O — CID 133371811

IUPACN-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C17H16F4N4O/c18-12-14(13(19)16(21)24-15(12)20)25-6-3-11(4-7-25)17(26)23-9-10-2-1-5-22-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H,23,26)
InChIKeyPXHYKNVHYKBMMF-UHFFFAOYSA-N
MW368.33 g/mol
LogP2.57
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide

N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 133371811) has the molecular formula C17H16F4N4O and a molecular weight of 368.33 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID133371811
Molecular FormulaC17H16F4N4O
Molecular Weight368.33 g/mol
Exact Mass368.13
IUPAC NameN-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C17H16F4N4O/c18-12-14(13(19)16(21)24-15(12)20)25-6-3-11(4-7-25)17(26)23-9-10-2-1-5-22-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H,23,26)
InChIKeyPXHYKNVHYKBMMF-UHFFFAOYSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.57
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

6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
1-(4-chloro-8-fluoroquinolin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453904
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50781257

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide (CID 133371811) is N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is PXHYKNVHYKBMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O/c18-12-14(13(19)16(21)24-15(12)20)25-6-3-11(4-7-25)17(26)23-9-10-2-1-5-22-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H,23,26).
What are the key properties of N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide?
N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 368.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 133371811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).