2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide

C18H25N5O — CID 56780363

IUPAC2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cc(C)n(CC2CCCCN2CC(=O)Nc2cccnc2)n1
InChIInChI=1S/C18H25N5O/c1-14-10-15(2)23(21-14)12-17-7-3-4-9-22(17)13-18(24)20-16-6-5-8-19-11-16/h5-6,8,10-11,17H,3-4,7,9,12-13H2,1-2H3,(H,20,24)
InChIKeyFFXPNYCBKLSUEG-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide

2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 56780363) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID56780363
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cc(C)n(CC2CCCCN2CC(=O)Nc2cccnc2)n1
InChIInChI=1S/C18H25N5O/c1-14-10-15(2)23(21-14)12-17-7-3-4-9-22(17)13-18(24)20-16-6-5-8-19-11-16/h5-6,8,10-11,17H,3-4,7,9,12-13H2,1-2H3,(H,20,24)
InChIKeyFFXPNYCBKLSUEG-UHFFFAOYSA-N
XLogP2.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide (CID 56780363) is 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide is Cc1cc(C)n(CC2CCCCN2CC(=O)Nc2cccnc2)n1.
What is the InChIKey of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is FFXPNYCBKLSUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-10-15(2)23(21-14)12-17-7-3-4-9-22(17)13-18(24)20-16-6-5-8-19-11-16/h5-6,8,10-11,17H,3-4,7,9,12-13H2,1-2H3,(H,20,24).
What are the key properties of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 327.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 56780363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).